NMR Restraints Grid

Result table
 (Save to zip file containing files for each block)

image	mrblock_id	pdb_id	bmrb_id	cing	stage	position	program	type	subtype	subsubtype
	24199	2k17	15671	cing	1-original	1	XPLOR/CNS	distance	NOE	simple

assign (resid 875 and name  HB+ ) (resid 893 and name  HE1 ) 3.68 3.68 0.00 
  peak 1044
assign (resid 861 and name  HB+ ) (resid 862 and name   HN ) 3.04 3.04 0.00 
  peak 341
assign (resid 859 and name   HN ) (resid 867 and name HG2+ ) 4.66 4.66 0.00 
  peak 630
assign (resid 863 and name   HN ) (resid 865 and name   HN ) 3.79 3.79 0.00 
  peak 64
assign (resid 875 and name  HG+ ) (resid 876 and name  HD2 ) 4.08 4.08 0.00 
  peak 1917
assign (resid 861 and name  HB+ ) (resid 863 and name   HN ) 3.96 3.96 0.00 
  peak 1337
assign (resid 897 and name   HB ) (resid 898 and name   HN ) 4.53 4.53 0.00 
  peak 74
assign (resid 875 and name  HG+ ) (resid 876 and name  HD1 ) 4.40 4.40 0.00 
  peak 2122
assign (resid 861 and name  HB+ ) (resid 865 and name   HN ) 3.95 3.95 0.00 
  peak 34
assign (resid 918 and name   HN ) (resid 919 and name   HN ) 3.49 3.49 0.00 
  peak 83
assign (resid 875 and name  HG+ ) (resid 893 and name  HE1 ) 5.34 5.34 0.00 
  peak 1386
assign (resid 917 and name   HN ) (resid 918 and name   HN ) 3.29 3.29 0.00 
  peak 85
assign (resid 876 and name   HA ) (resid 877 and name  HB+ ) 4.77 4.77 0.00 
  peak 1498
assign (resid 899 and name   HN ) (resid 899 and name HG11 ) 4.07 4.07 0.00 
  peak 88
assign (resid 876 and name  HB+ ) (resid 877 and name   HN ) 3.32 3.32 0.00 
  peak 479
assign (resid 897 and name   HN ) (resid 899 and name   HB ) 4.85 4.85 0.00 
  peak 92
assign (resid 877 and name   HN ) (resid 877 and name  HB+ ) 3.05 3.05 0.00 
  peak 372
assign (resid 914 and name   HA ) (resid 917 and name   HN ) 3.90 3.90 0.00 
  peak 94
assign (resid 877 and name  HB+ ) (resid 879 and name   HN ) 3.84 3.84 0.00 
  peak 1201
assign (resid 915 and name   HA ) (resid 917 and name   HN ) 4.52 4.52 0.00 
  peak 95
assign (resid 877 and name  HB+ ) (resid 882 and name  HE+ ) 3.12 3.12 0.00 
  peak 1858
assign (resid 918 and name   HN ) (resid 918 and name HD1+ ) 4.05 4.05 0.00 
  peak 661
assign (resid 920 and name   HN ) (resid 920 and name  HB2 ) 4.09 4.09 0.00 
  peak 665
assign (resid 921 and name   HN ) (resid 921 and name  HB2 ) 4.00 4.00 0.00 
  peak 669
assign (resid 872 and name  HA1 ) (resid 874 and name   HN ) 4.58 4.58 0.00 
  peak 683
assign (resid 896 and name   HN ) (resid 898 and name   HN ) 4.18 4.18 0.00 
  peak 687
assign (resid 862 and name  HB2 ) (resid 863 and name   HN ) 4.27 4.27 0.00 
  peak 554
assign (resid 911 and name  HB2 ) (resid 914 and name   HN ) 4.49 4.49 0.00 
  peak 690
assign (resid 871 and name  HG2 ) (resid 892 and name  HE+ ) 4.44 4.44 0.00 
  peak 557
assign (resid 911 and name  HB1 ) (resid 913 and name   HN ) 4.68 4.68 0.00 
  peak 691
assign (resid 883 and name HD1+ ) (resid 903 and name  HG2 ) 4.12 4.12 0.00 
  peak 209
assign (resid 866 and name   HN ) (resid 866 and name  HB2 ) 3.51 3.51 0.00 
  peak 558
assign (resid 855 and name  HB2 ) (resid 856 and name   HN ) 4.70 4.70 0.00 
  peak 693
assign (resid 883 and name HD1+ ) (resid 899 and name HG11 ) 4.15 4.15 0.00 
  peak 210
assign (resid 860 and name   HN ) (resid 860 and name  HG2 ) 3.98 3.98 0.00 
  peak 559
assign (resid 889 and name  HB1 ) (resid 890 and name   HN ) 4.79 4.79 0.00 
  peak 697
assign (resid 883 and name HD1+ ) (resid 884 and name   HN ) 4.33 4.33 0.00 
  peak 212
assign (resid 882 and name  HE+ ) (resid 892 and name   HN ) 4.27 4.27 0.00 
  peak 561
assign (resid 882 and name  HG1 ) (resid 882 and name  HE+ ) 4.43 4.43 0.00 
  peak 5
assign (resid 859 and name   HN ) (resid 859 and name HD1+ ) 4.30 4.30 0.00 
  peak 220
assign (resid 867 and name   HN ) (resid 867 and name HG12 ) 3.83 3.83 0.00 
  peak 562
assign (resid 859 and name   HA ) (resid 859 and name HD1+ ) 4.34 4.34 0.00 
  peak 221
assign (resid 867 and name   HN ) (resid 867 and name HG2+ ) 4.06 4.06 0.00 
  peak 631
assign (resid   9 and name   HN ) (resid   9 and name  HG+ ) 4.13 4.13 0.00 
  peak 563
assign (resid 867 and name   HN ) (resid 867 and name HD1+ ) 4.73 4.73 0.00 
  peak 223
assign (resid 867 and name HG2+ ) (resid 877 and name   HN ) 4.05 4.05 0.00 
  peak 632
assign (resid 868 and name  HE3 ) (resid 882 and name  HE+ ) 5.50 5.50 0.00 
  peak 567
assign (resid 861 and name  HB1 ) (resid 867 and name HD1+ ) 4.23 4.23 0.00 
  peak 225
assign (resid 861 and name  HB+ ) (resid 867 and name HG2+ ) 4.77 4.77 0.00 
  peak 1557
assign (resid   4 and name  HG1 ) (resid 891 and name  HZ3 ) 4.43 4.43 0.00 
  peak 633
assign (resid 882 and name  HE+ ) (resid 893 and name  HD2 ) 4.00 4.00 0.00 
  peak 568
assign (resid 865 and name  HB2 ) (resid 867 and name HD1+ ) 4.26 4.26 0.00 
  peak 226
assign (resid 861 and name  HB+ ) (resid 867 and name HG12 ) 3.45 3.45 0.00 
  peak 2190
assign (resid 859 and name HG2+ ) (resid 860 and name   HN ) 3.79 3.79 0.00 
  peak 638
assign (resid 882 and name  HE+ ) (resid 893 and name  HE1 ) 4.61 4.61 0.00 
  peak 569
assign (resid 883 and name HG2+ ) (resid 884 and name   HN ) 4.14 4.14 0.00 
  peak 229
assign (resid 861 and name  HB+ ) (resid 867 and name HG11 ) 4.48 4.48 0.00 
  peak 1550
assign (resid 858 and name   HN ) (resid 859 and name HG2+ ) 4.54 4.54 0.00 
  peak 639
assign (resid 883 and name HG2+ ) (resid 909 and name  HZ2 ) 4.39 4.39 0.00 
  peak 230
assign (resid 861 and name  HB+ ) (resid 867 and name HD1+ ) 3.47 3.47 0.00 
  peak 1959
assign (resid 857 and name  HD+ ) (resid 859 and name HG2+ ) 5.50 5.50 0.00 
  peak 640
assign (resid 862 and name  HB+ ) (resid 863 and name   HN ) 3.72 3.72 0.00 
  peak 554
assign (resid 897 and name   HN ) (resid 897 and name HG2+ ) 3.06 3.06 0.00 
  peak 646
assign (resid 862 and name  HB+ ) (resid 864 and name   HN ) 5.34 5.34 0.00 
  peak 551
assign (resid 897 and name HG2+ ) (resid 898 and name   HN ) 3.72 3.72 0.00 
  peak 647
assign (resid 916 and name  HB1 ) (resid 917 and name   HN ) 4.06 4.06 0.00 
  peak 99
assign (resid 878 and name   HN ) (resid 879 and name  HA+ ) 4.58 4.58 0.00 
  peak 235
assign (resid 863 and name   HN ) (resid 864 and name  HA+ ) 4.75 4.75 0.00 
  peak 780
assign (resid 896 and name   HN ) (resid 897 and name HG2+ ) 3.75 3.75 0.00 
  peak 648
assign (resid 854 and name   HA ) (resid 855 and name   HN ) 3.14 3.14 0.00 
  peak 101
assign (resid 878 and name  HB+ ) (resid 879 and name   HN ) 4.45 4.45 0.00 
  peak 360
assign (resid 863 and name  HB2 ) (resid 865 and name HD2+ ) 3.73 3.73 0.00 
  peak 354
assign (resid 893 and name   HN ) (resid 897 and name HG2+ ) 5.42 5.42 0.00 
  peak 650
assign (resid 872 and name   HN ) (resid 874 and name   HN ) 4.26 4.26 0.00 
  peak 109
assign (resid 880 and name   HN ) (resid 880 and name  HB+ ) 3.40 3.40 0.00 
  peak 516
assign (resid 863 and name  HB1 ) (resid 865 and name HD2+ ) 4.50 4.50 0.00 
  peak 570
assign (resid 871 and name  HD1 ) (resid 872 and name   HN ) 4.35 4.35 0.00 
  peak 110
assign (resid 880 and name   HN ) (resid 881 and name  HD+ ) 4.88 4.88 0.00 
  peak 322
assign (resid 865 and name   HN ) (resid 865 and name HD2+ ) 4.12 4.12 0.00 
  peak 31
assign (resid 875 and name   HN ) (resid 876 and name  HD2 ) 4.82 4.82 0.00 
  peak 116
assign (resid 880 and name   HA ) (resid 881 and name  HD+ ) 2.91 2.91 0.00 
  peak 1842
assign (resid 870 and name  HB1 ) (resid 875 and name   HN ) 4.03 4.03 0.00 
  peak 117
assign (resid 880 and name  HB+ ) (resid 881 and name  HD+ ) 3.14 3.14 0.00 
  peak 1943
assign (resid 875 and name   HN ) (resid 875 and name  HD+ ) 4.50 4.50 0.00 
  peak 118
assign (resid 881 and name  HG+ ) (resid 894 and name  HE3 ) 4.48 4.48 0.00 
  peak 2106
assign (resid   4 and name HM++ ) (resid 891 and name  HE1 ) 3.93 3.93 0.00 
  peak 122
assign (resid 881 and name  HG+ ) (resid 894 and name  HZ3 ) 3.80 3.80 0.00 
  peak 586
assign (resid 860 and name  HD+ ) (resid 864 and name   HN ) 5.26 5.26 0.00 
  peak 129
assign (resid 888 and name   HN ) (resid 888 and name  HB+ ) 3.42 3.42 0.00 
  peak 399
assign (resid 864 and name   HN ) (resid 865 and name  HB2 ) 5.50 5.50 0.00 
  peak 129
assign (resid 888 and name  HB+ ) (resid 889 and name   HN ) 3.78 3.78 0.00 
  peak 778
assign (resid 917 and name  HB1 ) (resid 918 and name   HN ) 4.30 4.30 0.00 
  peak 32
assign (resid 920 and name  HB2 ) (resid 920 and name  HE+ ) 4.94 4.94 0.00 
  peak 34
assign (resid 913 and name   HN ) (resid 913 and name  HB2 ) 3.81 3.81 0.00 
  peak 37
assign (resid 920 and name   HN ) (resid 920 and name  HB1 ) 4.09 4.09 0.00 
  peak 39
assign (resid 917 and name  HB2 ) (resid 918 and name   HN ) 4.30 4.30 0.00 
  peak 43
assign (resid 854 and name  HB+ ) (resid 855 and name   HN ) 4.00 4.00 0.00 
  peak 572
assign (resid   1 and name   HA ) (resid 909 and name  HB1 ) 4.38 4.38 0.00 
  peak 57
assign (resid 854 and name  HB+ ) (resid 856 and name   HN ) 4.75 4.75 0.00 
  peak 573
assign (resid 910 and name  HB1 ) (resid 914 and name  HB1 ) 4.32 4.32 0.00 
  peak 73
assign (resid 883 and name HG2+ ) (resid 894 and name   HA ) 4.31 4.31 0.00 
  peak 231
assign (resid 862 and name   HN ) (resid 862 and name  HB1 ) 3.60 3.60 0.00 
  peak 574
assign (resid 893 and name  HB1 ) (resid 896 and name   HN ) 3.78 3.78 0.00 
  peak 1
assign (resid 885 and name  HB2 ) (resid 911 and name  HB1 ) 4.37 4.37 0.00 
  peak 77
assign (resid 883 and name HG2+ ) (resid 909 and name  HE3 ) 4.30 4.30 0.00 
  peak 234
assign (resid   7 and name   HN ) (resid   7 and name  HB+ ) 3.40 3.40 0.00 
  peak 577
assign (resid 881 and name  HB2 ) (resid 894 and name  HE1 ) 4.54 4.54 0.00 
  peak 3
assign (resid 914 and name   HA ) (resid 917 and name  HD+ ) 4.01 4.01 0.00 
  peak 79
assign (resid 882 and name   HA ) (resid 883 and name HG2+ ) 4.16 4.16 0.00 
  peak 236
assign (resid 894 and name  HH2 ) (resid 902 and name  HB+ ) 3.39 3.39 0.00 
  peak 581
assign (resid 883 and name HG2+ ) (resid 894 and name  HE1 ) 4.21 4.21 0.00 
  peak 4
assign (resid 906 and name   HN ) (resid 906 and name  HB2 ) 4.06 4.06 0.00 
  peak 86
assign (resid 915 and name  HB+ ) (resid 918 and name HD1+ ) 4.61 4.61 0.00 
  peak 243
assign (resid 894 and name  HZ2 ) (resid 902 and name  HB+ ) 3.53 3.53 0.00 
  peak 582
assign (resid 868 and name  HB1 ) (resid 869 and name   HN ) 4.23 4.23 0.00 
  peak 5
assign (resid 857 and name   HA ) (resid 869 and name HD1+ ) 5.14 5.14 0.00 
  peak 245
assign (resid 869 and name HG2+ ) (resid 875 and name   HN ) 3.76 3.76 0.00 
  peak 653
assign (resid 899 and name   HB ) (resid 900 and name   HN ) 4.32 4.32 0.00 
  peak 583
assign (resid 869 and name   HN ) (resid 876 and name   HA ) 4.83 4.83 0.00 
  peak 7
assign (resid 869 and name HD1+ ) (resid 876 and name  HD1 ) 4.52 4.52 0.00 
  peak 247
assign (resid 869 and name HD1+ ) (resid 877 and name   HN ) 4.01 4.01 0.00 
  peak 654
assign (resid 883 and name HG11 ) (resid 894 and name  HE1 ) 4.93 4.93 0.00 
  peak 584
assign (resid 868 and name   HA ) (resid 869 and name   HN ) 3.21 3.21 0.00 
  peak 8
assign (resid 859 and name HG2+ ) (resid 869 and name HD1+ ) 4.60 4.60 0.00 
  peak 250
assign (resid 869 and name HG2+ ) (resid 870 and name   HN ) 3.29 3.29 0.00 
  peak 655
assign (resid 918 and name   HN ) (resid 918 and name HG12 ) 3.55 3.55 0.00 
  peak 585
assign (resid 915 and name   HN ) (resid 916 and name   HN ) 3.43 3.43 0.00 
  peak 12
assign (resid 859 and name HD1+ ) (resid 869 and name HD1+ ) 4.78 4.78 0.00 
  peak 250
assign (resid 869 and name HG2+ ) (resid 873 and name   HN ) 5.45 5.45 0.00 
  peak 656
assign (resid   4 and name HM++ ) (resid 868 and name   HN ) 4.27 4.27 0.00 
  peak 588
assign (resid 900 and name   HN ) (resid 901 and name   HN ) 3.06 3.06 0.00 
  peak 17
assign (resid 899 and name HD1+ ) (resid 909 and name  HE1 ) 3.70 3.70 0.00 
  peak 251
assign (resid 857 and name  HD+ ) (resid 869 and name HG2+ ) 3.37 3.37 0.00 
  peak 658
assign (resid 901 and name   HN ) (resid 902 and name   HN ) 4.58 4.58 0.00 
  peak 18
assign (resid 899 and name HD1+ ) (resid 900 and name   HN ) 4.30 4.30 0.00 
  peak 252
assign (resid 857 and name  HE+ ) (resid 869 and name HG2+ ) 3.82 3.82 0.00 
  peak 659
assign (resid 910 and name  HD+ ) (resid 918 and name HD1+ ) 5.34 5.34 0.00 
  peak 661
assign (resid 858 and name HG1+ ) (resid 868 and name  HZ2 ) 4.72 4.72 0.00 
  peak 663
assign (resid 862 and name   HA ) (resid 864 and name   HN ) 4.40 4.40 0.00 
  peak 131
assign (resid 888 and name  HB+ ) (resid 890 and name   HN ) 4.49 4.49 0.00 
  peak 340
assign (resid 858 and name   HN ) (resid 858 and name HG1+ ) 4.03 4.03 0.00 
  peak 664
assign (resid 857 and name  HD+ ) (resid 858 and name   HN ) 4.80 4.80 0.00 
  peak 137
assign (resid 889 and name   HN ) (resid 889 and name  HB+ ) 3.53 3.53 0.00 
  peak 1350
assign (resid 858 and name HG1+ ) (resid 866 and name HE22 ) 4.71 4.71 0.00 
  peak 665
assign (resid 856 and name   HA ) (resid 858 and name   HN ) 4.62 4.62 0.00 
  peak 139
assign (resid 889 and name  HB+ ) (resid 890 and name   HN ) 4.06 4.06 0.00 
  peak 697
assign (resid 857 and name  HB2 ) (resid 858 and name   HN ) 4.30 4.30 0.00 
  peak 142
assign (resid 890 and name   HN ) (resid 890 and name  HB+ ) 3.17 3.17 0.00 
  peak 367
assign (resid 856 and name   HN ) (resid 857 and name   HN ) 4.45 4.45 0.00 
  peak 147
assign (resid 890 and name  HB+ ) (resid 891 and name   HN ) 3.43 3.43 0.00 
  peak 428
assign (resid 857 and name   HN ) (resid 858 and name   HN ) 3.43 3.43 0.00 
  peak 148
assign (resid 892 and name  HE+ ) (resid 913 and name  HB+ ) 5.08 5.08 0.00 
  peak 2025
assign (resid 886 and name   HN ) (resid 909 and name   HN ) 4.77 4.77 0.00 
  peak 161
assign (resid 916 and name  HB+ ) (resid 916 and name HD2+ ) 3.17 3.17 0.00 
  peak 406
assign (resid 895 and name   HA ) (resid 898 and name  HA+ ) 4.84 4.84 0.00 
  peak 1410
assign (resid 878 and name   HN ) (resid 880 and name   HN ) 3.68 3.68 0.00 
  peak 163
assign (resid 916 and name  HB+ ) (resid 917 and name   HN ) 3.55 3.55 0.00 
  peak 99
assign (resid 897 and name   HN ) (resid 898 and name  HA+ ) 5.01 5.01 0.00 
  peak 294
assign (resid 893 and name   HN ) (resid 896 and name   HN ) 4.75 4.75 0.00 
  peak 167
assign (resid 917 and name  HE+ ) (resid 918 and name HG1+ ) 4.00 4.00 0.00 
  peak 1861
assign (resid 897 and name HG2+ ) (resid 898 and name  HA+ ) 4.51 4.51 0.00 
  peak 1866
assign (resid 896 and name   HN ) (resid 897 and name   HN ) 3.20 3.20 0.00 
  peak 168
assign (resid 918 and name   HN ) (resid 918 and name HG1+ ) 2.97 2.97 0.00 
  peak 585
assign (resid 898 and name  HA+ ) (resid 899 and name   HA ) 4.43 4.43 0.00 
  peak 853
assign (resid 918 and name   HA ) (resid 918 and name HG1+ ) 3.38 3.38 0.00 
  peak 2418
assign (resid 918 and name HG2+ ) (resid 918 and name HG1+ ) 3.23 3.23 0.00 
  peak 1791
assign (resid 918 and name HG1+ ) (resid 919 and name   HN ) 4.28 4.28 0.00 
  peak 579
assign (resid 875 and name   HA ) (resid 876 and name  HG+ ) 4.11 4.11 0.00 
  peak 99
assign (resid 919 and name   HN ) (resid 919 and name  HB+ ) 3.30 3.30 0.00 
  peak 244
assign (resid 859 and name HG11 ) (resid 867 and name   HB ) 4.13 4.13 0.00 
  peak 109
assign (resid 919 and name   HN ) (resid 920 and name  HB+ ) 4.80 4.80 0.00 
  peak 31
assign (resid 897 and name   HN ) (resid 897 and name HG1+ ) 4.01 4.01 0.00 
  peak 115
assign (resid 919 and name   HN ) (resid 920 and name  HG+ ) 4.30 4.30 0.00 
  peak 1320
assign (resid 896 and name   HN ) (resid 897 and name HG1+ ) 4.65 4.65 0.00 
  peak 116
assign (resid 897 and name HG1+ ) (resid 909 and name  HZ2 ) 3.40 3.40 0.00 
  peak 117
assign (resid 883 and name HG11 ) (resid 884 and name   HN ) 3.82 3.82 0.00 
  peak 589
assign (resid 858 and name   HN ) (resid 858 and name HG2+ ) 4.03 4.03 0.00 
  peak 130
assign (resid 856 and name  HB+ ) (resid 858 and name   HN ) 3.92 3.92 0.00 
  peak 590
assign (resid 858 and name HG1+ ) (resid 859 and name   HN ) 4.19 4.19 0.00 
  peak 131
assign (resid 899 and name HD1+ ) (resid 903 and name  HD1 ) 4.09 4.09 0.00 
  peak 255
assign (resid   4 and name HM++ ) (resid 891 and name  HH2 ) 4.64 4.64 0.00 
  peak 591
assign (resid 856 and name  HB+ ) (resid 857 and name  HD+ ) 5.13 5.13 0.00 
  peak 135
assign (resid 899 and name HD1+ ) (resid 903 and name  HG1 ) 4.25 4.25 0.00 
  peak 256
assign (resid   4 and name HM++ ) (resid 891 and name  HZ3 ) 4.49 4.49 0.00 
  peak 592
assign (resid 912 and name   HA ) (resid 915 and name  HB+ ) 3.49 3.49 0.00 
  peak 139
assign (resid 897 and name HG2+ ) (resid 899 and name HD1+ ) 3.28 3.28 0.00 
  peak 257
assign (resid   4 and name HM++ ) (resid 892 and name   HN ) 5.50 5.50 0.00 
  peak 593
assign (resid 897 and name HG2+ ) (resid 899 and name   HB ) 3.89 3.89 0.00 
  peak 142
assign (resid 899 and name   HN ) (resid 899 and name HD1+ ) 4.15 4.15 0.00 
  peak 260
assign (resid 859 and name   HN ) (resid 859 and name HG12 ) 3.69 3.69 0.00 
  peak 594
assign (resid 855 and name   HA ) (resid 855 and name  HG+ ) 3.95 3.95 0.00 
  peak 270
assign (resid 858 and name HG2+ ) (resid 859 and name   HN ) 4.19 4.19 0.00 
  peak 666
assign (resid 856 and name  HB+ ) (resid 857 and name   HN ) 3.54 3.54 0.00 
  peak 595
assign (resid 865 and name   HN ) (resid 865 and name  HB1 ) 4.21 4.21 0.00 
  peak 283
assign (resid 858 and name HG2+ ) (resid 867 and name   HN ) 5.50 5.50 0.00 
  peak 667
assign (resid 862 and name   HN ) (resid 862 and name  HG+ ) 3.48 3.48 0.00 
  peak 600
assign (resid 905 and name  HB2 ) (resid 906 and name   HN ) 4.43 4.43 0.00 
  peak 284
assign (resid 883 and name HG12 ) (resid 884 and name   HN ) 4.09 4.09 0.00 
  peak 668
assign (resid 862 and name  HG+ ) (resid 863 and name  HE3 ) 4.61 4.61 0.00 
  peak 602
assign (resid 867 and name HG2+ ) (resid 869 and name HD1+ ) 3.56 3.56 0.00 
  peak 291
assign (resid 899 and name HG2+ ) (resid 900 and name   HN ) 3.92 3.92 0.00 
  peak 678
assign (resid 862 and name  HG+ ) (resid 863 and name  HZ2 ) 4.54 4.54 0.00 
  peak 603
assign (resid   5 and name   HA ) (resid 881 and name   HA ) 4.27 4.27 0.00 
  peak 315
assign (resid 899 and name   HN ) (resid 899 and name HG2+ ) 3.91 3.91 0.00 
  peak 679
assign (resid 869 and name   HA ) (resid 876 and name   HA ) 3.44 3.44 0.00 
  peak 332
assign (resid 899 and name HG2+ ) (resid 901 and name   HN ) 3.28 3.28 0.00 
  peak 680
assign (resid 881 and name  HB2 ) (resid 894 and name  HZ2 ) 4.85 4.85 0.00 
  peak 682
assign (resid 881 and name  HB2 ) (resid 894 and name   HN ) 5.50 5.50 0.00 
  peak 684
assign (resid 895 and name  HD1 ) (resid 896 and name   HN ) 4.34 4.34 0.00 
  peak 170
assign (resid 899 and name   HA ) (resid 900 and name  HB+ ) 4.70 4.70 0.00 
  peak 2248
assign (resid 894 and name   HN ) (resid 899 and name HG2+ ) 5.50 5.50 0.00 
  peak 684
assign (resid 895 and name  HG2 ) (resid 896 and name   HN ) 3.73 3.73 0.00 
  peak 173
assign (resid 899 and name   HA ) (resid 900 and name  HG+ ) 4.63 4.63 0.00 
  peak 2119
assign (resid 883 and name HG2+ ) (resid 892 and name   HN ) 4.03 4.03 0.00 
  peak 685
assign (resid 861 and name   HN ) (resid 862 and name   HN ) 4.48 4.48 0.00 
  peak 176
assign (resid 900 and name   HN ) (resid 900 and name  HB+ ) 3.48 3.48 0.00 
  peak 494
assign (resid 862 and name   HN ) (resid 864 and name   HN ) 4.44 4.44 0.00 
  peak 177
assign (resid 900 and name  HB+ ) (resid 901 and name   HN ) 3.68 3.68 0.00 
  peak 495
assign (resid 897 and name   HB ) (resid 909 and name  HE1 ) 4.60 4.60 0.00 
  peak 183
assign (resid 900 and name  HB+ ) (resid 901 and name  HB+ ) 4.46 4.46 0.00 
  peak 795
assign (resid 870 and name  HB1 ) (resid 873 and name   HN ) 4.36 4.36 0.00 
  peak 192
assign (resid 903 and name   HA ) (resid 904 and name  HG+ ) 4.15 4.15 0.00 
  peak 340
assign (resid 868 and name   HN ) (resid 869 and name   HN ) 4.61 4.61 0.00 
  peak 198
assign (resid 919 and name  HB+ ) (resid 920 and name   HN ) 3.93 3.93 0.00 
  peak 368
assign (resid 903 and name  HB+ ) (resid 904 and name  HD2 ) 3.60 3.60 0.00 
  peak 1881
assign (resid 867 and name   HB ) (resid 868 and name   HN ) 4.53 4.53 0.00 
  peak 199
assign (resid 920 and name   HN ) (resid 920 and name  HB+ ) 3.44 3.44 0.00 
  peak 665
assign (resid 904 and name  HG+ ) (resid 906 and name   HN ) 4.32 4.32 0.00 
  peak 213
assign (resid 867 and name HG12 ) (resid 868 and name   HN ) 5.50 5.50 0.00 
  peak 200
assign (resid 920 and name   HN ) (resid 920 and name  HG+ ) 3.88 3.88 0.00 
  peak 1295
assign (resid 905 and name   HN ) (resid 905 and name  HG+ ) 3.37 3.37 0.00 
  peak 587
assign (resid 868 and name   HN ) (resid 882 and name  HE+ ) 5.50 5.50 0.00 
  peak 200
assign (resid 920 and name  HB+ ) (resid 921 and name   HN ) 3.84 3.84 0.00 
  peak 46
assign (resid 905 and name   HN ) (resid 906 and name  HG+ ) 4.65 4.65 0.00 
  peak 456
assign (resid 921 and name   HN ) (resid 921 and name  HB+ ) 3.46 3.46 0.00 
  peak 669
assign (resid 922 and name   HN ) (resid 922 and name  HB+ ) 3.47 3.47 0.00 
  peak 27
assign (resid 922 and name  HB+ ) (resid 923 and name   HN ) 4.39 4.39 0.00 
  peak 2378
assign (resid 892 and name  HB1 ) (resid 897 and name HG2+ ) 4.38 4.38 0.00 
  peak 147
assign (resid 923 and name   HA ) (resid 924 and name  HB+ ) 4.41 4.41 0.00 
  peak 415
assign (resid 859 and name HG2+ ) (resid 867 and name   HB ) 5.07 5.07 0.00 
  peak 156
assign (resid 924 and name   HN ) (resid 924 and name  HB+ ) 3.65 3.65 0.00 
  peak 677
assign (resid 882 and name  HE+ ) (resid 893 and name   HN ) 4.16 4.16 0.00 
  peak 161
assign (resid 870 and name   HN ) (resid 882 and name  HE+ ) 4.26 4.26 0.00 
  peak 163
assign (resid 882 and name  HE+ ) (resid 892 and name   HA ) 3.99 3.99 0.00 
  peak 165
assign (resid 894 and name  HZ3 ) (resid 901 and name  HB+ ) 4.49 4.49 0.00 
  peak 605
assign (resid 882 and name  HE+ ) (resid 893 and name   HA ) 4.02 4.02 0.00 
  peak 167
assign (resid 877 and name   HA ) (resid 882 and name  HE+ ) 3.68 3.68 0.00 
  peak 168
assign (resid 918 and name   HA ) (resid 919 and name   HN ) 3.51 3.51 0.00 
  peak 333
assign (resid  11 and name HG2+ ) (resid  12 and name   HN ) 4.67 4.67 0.00 
  peak 607
assign (resid 882 and name  HE+ ) (resid 891 and name  HB2 ) 3.70 3.70 0.00 
  peak 171
assign (resid 867 and name HG2+ ) (resid 876 and name  HG+ ) 3.91 3.91 0.00 
  peak 334
assign (resid   3 and name HG2+ ) (resid 894 and name  HE1 ) 3.37 3.37 0.00 
  peak 609
assign (resid 882 and name  HB2 ) (resid 882 and name  HE+ ) 3.79 3.79 0.00 
  peak 176
assign (resid 903 and name   HA ) (resid 904 and name  HD2 ) 3.23 3.23 0.00 
  peak 338
assign (resid 862 and name  HG+ ) (resid 863 and name   HN ) 3.62 3.62 0.00 
  peak 609
assign (resid 867 and name HG2+ ) (resid 867 and name HG12 ) 3.36 3.36 0.00 
  peak 177
assign (resid 903 and name   HA ) (resid 904 and name  HD1 ) 3.60 3.60 0.00 
  peak 339
assign (resid   3 and name HG2+ ) (resid 894 and name  HZ2 ) 3.22 3.22 0.00 
  peak 611
assign (resid 903 and name   HA ) (resid 904 and name  HG1 ) 4.74 4.74 0.00 
  peak 340
assign (resid 883 and name HG2+ ) (resid 894 and name   HN ) 4.85 4.85 0.00 
  peak 686
assign (resid   3 and name HG2+ ) (resid 891 and name  HZ3 ) 4.26 4.26 0.00 
  peak 612
assign (resid 894 and name   HA ) (resid 899 and name   HB ) 3.95 3.95 0.00 
  peak 346
assign (resid 883 and name HG2+ ) (resid 909 and name  HZ3 ) 4.30 4.30 0.00 
  peak 689
assign (resid   3 and name HG2+ ) (resid 894 and name  HD1 ) 4.62 4.62 0.00 
  peak 613
assign (resid   3 and name   HA ) (resid 883 and name   HA ) 4.01 4.01 0.00 
  peak 368
assign (resid 883 and name HD1+ ) (resid 894 and name  HE1 ) 4.20 4.20 0.00 
  peak 690
assign (resid 915 and name   HN ) (resid 915 and name  HB+ ) 2.86 2.86 0.00 
  peak 614
assign (resid 883 and name   HA ) (resid 883 and name HD1+ ) 4.15 4.15 0.00 
  peak 372
assign (resid 894 and name  HD1 ) (resid 899 and name HD1+ ) 5.19 5.19 0.00 
  peak 692
assign (resid   6 and name HG2+ ) (resid   7 and name   HN ) 4.26 4.26 0.00 
  peak 616
assign (resid 882 and name  HG2 ) (resid 893 and name   HA ) 4.00 4.00 0.00 
  peak 386
assign (resid 883 and name HG12 ) (resid 909 and name  HZ3 ) 4.98 4.98 0.00 
  peak 693
assign (resid 869 and name   HA ) (resid 877 and name   HN ) 4.24 4.24 0.00 
  peak 387
assign (resid 883 and name HG2+ ) (resid 891 and name  HE3 ) 5.50 5.50 0.00 
  peak 694
assign (resid 883 and name HG2+ ) (resid 892 and name  HD+ ) 5.50 5.50 0.00 
  peak 694
assign (resid 894 and name  HE1 ) (resid 899 and name HD1+ ) 5.29 5.29 0.00 
  peak 695
assign (resid 867 and name   HN ) (resid 868 and name   HN ) 4.59 4.59 0.00 
  peak 201
assign (resid 905 and name   HA ) (resid 905 and name  HG+ ) 3.64 3.64 0.00 
  peak 1573
assign (resid 883 and name HD1+ ) (resid 909 and name  HE1 ) 4.83 4.83 0.00 
  peak 696
assign (resid 867 and name HD1+ ) (resid 868 and name   HN ) 4.34 4.34 0.00 
  peak 206
assign (resid 905 and name  HB+ ) (resid 906 and name   HN ) 3.77 3.77 0.00 
  peak 478
assign (resid 883 and name   HN ) (resid 883 and name HG11 ) 4.76 4.76 0.00 
  peak 697
assign (resid 860 and name   HA ) (resid 867 and name   HN ) 4.10 4.10 0.00 
  peak 220
assign (resid 905 and name  HG+ ) (resid 906 and name   HN ) 4.14 4.14 0.00 
  peak 1995
assign (resid 859 and name   HN ) (resid 867 and name   HN ) 3.64 3.64 0.00 
  peak 222
assign (resid 906 and name   HN ) (resid 906 and name  HB+ ) 3.19 3.19 0.00 
  peak 467
assign (resid 866 and name  HG1 ) (resid 867 and name   HN ) 5.04 5.04 0.00 
  peak 225
assign (resid 906 and name   HA ) (resid 906 and name  HG+ ) 3.47 3.47 0.00 
  peak 1923
assign (resid 877 and name   HN ) (resid 882 and name  HE+ ) 4.76 4.76 0.00 
  peak 226
assign (resid 906 and name  HG+ ) (resid 907 and name   HN ) 4.11 4.11 0.00 
  peak 44
assign (resid 895 and name  HB2 ) (resid 896 and name   HN ) 3.90 3.90 0.00 
  peak 235
assign (resid 908 and name   HN ) (resid 908 and name  HG+ ) 3.38 3.38 0.00 
  peak 443
assign (resid 897 and name   HN ) (resid 898 and name   HN ) 3.23 3.23 0.00 
  peak 236
assign (resid 908 and name  HG+ ) (resid 909 and name   HN ) 4.43 4.43 0.00 
  peak 338
assign (resid 916 and name   HN ) (resid 917 and name   HN ) 3.34 3.34 0.00 
  peak 242
assign (resid 908 and name  HG+ ) (resid 910 and name  HE+ ) 4.80 4.80 0.00 
  peak 2366
assign (resid 921 and name   HN ) (resid 921 and name  HB1 ) 4.00 4.00 0.00 
  peak 243
assign (resid 908 and name  HG+ ) (resid 910 and name   HZ ) 4.80 4.80 0.00 
  peak 459
assign (resid 911 and name   HA ) (resid 912 and name  HD+ ) 3.49 3.49 0.00 
  peak 412
assign (resid 860 and name   HA ) (resid 866 and name   HA ) 3.91 3.91 0.00 
  peak 425
assign (resid 870 and name   HA ) (resid 871 and name  HD1 ) 3.63 3.63 0.00 
  peak 432
assign (resid 877 and name   HA ) (resid 893 and name  HE2 ) 4.15 4.15 0.00 
  peak 435
assign (resid 892 and name   HA ) (resid 897 and name HG1+ ) 4.60 4.60 0.00 
  peak 450
assign (resid   3 and name HG2+ ) (resid 883 and name   HN ) 5.00 5.00 0.00 
  peak 699
assign (resid 910 and name  HB1 ) (resid 915 and name   HA ) 4.89 4.89 0.00 
  peak 453
assign (resid 878 and name   HN ) (resid 882 and name  HE+ ) 5.02 5.02 0.00 
  peak 700
assign (resid 914 and name  HB1 ) (resid 915 and name   HA ) 4.39 4.39 0.00 
  peak 456
assign (resid 893 and name   HA ) (resid 894 and name  HD1 ) 4.45 4.45 0.00 
  peak 714
assign (resid 911 and name   HN ) (resid 915 and name  HB+ ) 5.44 5.44 0.00 
  peak 701
assign (resid 875 and name   HA ) (resid 876 and name  HD1 ) 3.38 3.38 0.00 
  peak 468
assign (resid 909 and name   HA ) (resid 910 and name  HB2 ) 4.64 4.64 0.00 
  peak 721
assign (resid 886 and name  HB1 ) (resid 887 and name   HN ) 4.95 4.95 0.00 
  peak 702
assign (resid 875 and name   HA ) (resid 875 and name  HD+ ) 4.31 4.31 0.00 
  peak 470
assign (resid 885 and name   HA ) (resid 886 and name  HB2 ) 4.47 4.47 0.00 
  peak 724
assign (resid 883 and name   HN ) (resid 891 and name  HB1 ) 5.50 5.50 0.00 
  peak 704
assign (resid 869 and name HG2+ ) (resid 875 and name   HA ) 4.38 4.38 0.00 
  peak 472
assign (resid 903 and name   HA ) (resid 904 and name  HG2 ) 4.74 4.74 0.00 
  peak 725
assign (resid 885 and name  HB2 ) (resid 887 and name   HN ) 5.33 5.33 0.00 
  peak 705
assign (resid 896 and name   HA ) (resid 897 and name HG1+ ) 5.13 5.13 0.00 
  peak 727
assign (resid 887 and name   HN ) (resid 888 and name   HN ) 3.41 3.41 0.00 
  peak 790
assign (resid 887 and name   HN ) (resid 914 and name  HB1 ) 5.50 5.50 0.00 
  peak 705
assign (resid 896 and name   HA ) (resid 897 and name HG2+ ) 5.50 5.50 0.00 
  peak 727
assign (resid 887 and name   HN ) (resid 889 and name   HN ) 4.47 4.47 0.00 
  peak 791
assign (resid 885 and name  HB1 ) (resid 886 and name   HN ) 4.95 4.95 0.00 
  peak 706
assign (resid 919 and name   HN ) (resid 919 and name  HB1 ) 3.84 3.84 0.00 
  peak 244
assign (resid 904 and name   HA ) (resid 905 and name   HA ) 4.41 4.41 0.00 
  peak 730
assign (resid 912 and name  HB+ ) (resid 913 and name   HN ) 3.80 3.80 0.00 
  peak 285
assign (resid 878 and name   HN ) (resid 879 and name   HN ) 3.15 3.15 0.00 
  peak 793
assign (resid 887 and name  HB1 ) (resid 911 and name   HN ) 5.38 5.38 0.00 
  peak 707
assign (resid 917 and name   HN ) (resid 917 and name  HB2 ) 3.70 3.70 0.00 
  peak 245
assign (resid 882 and name   HA ) (resid 894 and name   HA ) 5.21 5.21 0.00 
  peak 731
assign (resid 912 and name  HB+ ) (resid 915 and name  HB+ ) 4.79 4.79 0.00 
  peak 2354
assign (resid 878 and name   HN ) (resid 893 and name  HD2 ) 4.77 4.77 0.00 
  peak 796
assign (resid 883 and name   HN ) (resid 894 and name   HA ) 4.91 4.91 0.00 
  peak 709
assign (resid 855 and name   HN ) (resid 855 and name  HB2 ) 4.12 4.12 0.00 
  peak 247
assign (resid 894 and name   HA ) (resid 899 and name HG2+ ) 4.49 4.49 0.00 
  peak 737
assign (resid 913 and name   HN ) (resid 913 and name  HB+ ) 3.06 3.06 0.00 
  peak 481
assign (resid 910 and name  HD+ ) (resid 911 and name   HN ) 4.41 4.41 0.00 
  peak 798
assign (resid 876 and name  HG+ ) (resid 877 and name   HN ) 4.06 4.06 0.00 
  peak 248
assign (resid 893 and name  HB2 ) (resid 896 and name  HB2 ) 4.51 4.51 0.00 
  peak 749
assign (resid 913 and name   HN ) (resid 913 and name  HG+ ) 3.56 3.56 0.00 
  peak 541
assign (resid 890 and name   HN ) (resid 891 and name   HN ) 4.42 4.42 0.00 
  peak 803
assign (resid 899 and name   HN ) (resid 899 and name HG12 ) 3.71 3.71 0.00 
  peak 252
assign (resid 913 and name   HN ) (resid 913 and name  HD+ ) 5.00 5.00 0.00 
  peak 629
assign (resid 911 and name   HN ) (resid 915 and name   HN ) 5.28 5.28 0.00 
  peak 812
assign (resid 897 and name HG2+ ) (resid 899 and name   HN ) 3.58 3.58 0.00 
  peak 253
assign (resid 913 and name   HN ) (resid 916 and name  HB+ ) 5.26 5.26 0.00 
  peak 2091
assign (resid 914 and name   HN ) (resid 915 and name   HN ) 3.18 3.18 0.00 
  peak 814
assign (resid 905 and name   HN ) (resid 907 and name   HN ) 4.47 4.47 0.00 
  peak 256
assign (resid 913 and name   HA ) (resid 913 and name  HG+ ) 3.57 3.57 0.00 
  peak 1677
assign (resid 913 and name   HN ) (resid 915 and name   HN ) 4.14 4.14 0.00 
  peak 815
assign (resid 858 and name HG2+ ) (resid 866 and name HE22 ) 4.71 4.71 0.00 
  peak 257
assign (resid 913 and name   HA ) (resid 913 and name  HD+ ) 4.40 4.40 0.00 
  peak 376
assign (resid 868 and name   HN ) (resid 877 and name   HN ) 4.74 4.74 0.00 
  peak 819
assign (resid 858 and name HG1+ ) (resid 866 and name HE21 ) 4.34 4.34 0.00 
  peak 258
assign (resid 913 and name   HA ) (resid 916 and name  HB+ ) 4.16 4.16 0.00 
  peak 2080
assign (resid 861 and name   HN ) (resid 861 and name  HB1 ) 4.07 4.07 0.00 
  peak 262
assign (resid 913 and name   HA ) (resid 916 and name HD2+ ) 5.18 5.18 0.00 
  peak 266
assign (resid 895 and name  HD2 ) (resid 896 and name   HN ) 4.31 4.31 0.00 
  peak 479
assign (resid 893 and name  HB1 ) (resid 895 and name  HD2 ) 3.93 3.93 0.00 
  peak 480
assign (resid 894 and name  HB2 ) (resid 895 and name  HD1 ) 3.90 3.90 0.00 
  peak 482
assign (resid 875 and name   HA ) (resid 876 and name  HD2 ) 3.45 3.45 0.00 
  peak 485
assign (resid 875 and name  HB2 ) (resid 876 and name  HD2 ) 4.05 4.05 0.00 
  peak 486
assign (resid 865 and name   HA ) (resid 866 and name   HN ) 2.93 2.93 0.00 
  peak 713
assign (resid 902 and name   HA ) (resid 903 and name  HD1 ) 3.29 3.29 0.00 
  peak 487
assign (resid   3 and name   HB ) (resid   4 and name   HN ) 3.59 3.59 0.00 
  peak 715
assign (resid 903 and name  HB2 ) (resid 904 and name  HD2 ) 4.27 4.27 0.00 
  peak 496
assign (resid 885 and name  HB1 ) (resid 911 and name  HB1 ) 4.99 4.99 0.00 
  peak 750
assign (resid   2 and name   HA ) (resid   3 and name   HN ) 3.19 3.19 0.00 
  peak 716
assign (resid 880 and name  HB2 ) (resid 881 and name  HD2 ) 4.21 4.21 0.00 
  peak 501
assign (resid 914 and name   HA ) (resid 917 and name  HG1 ) 4.75 4.75 0.00 
  peak 777
assign (resid 910 and name   HA ) (resid 911 and name   HN ) 3.18 3.18 0.00 
  peak 719
assign (resid 880 and name  HB2 ) (resid 881 and name  HD1 ) 4.21 4.21 0.00 
  peak 504
assign (resid 914 and name   HA ) (resid 917 and name  HB1 ) 4.57 4.57 0.00 
  peak 789
assign (resid 890 and name   HA ) (resid 891 and name   HN ) 3.11 3.11 0.00 
  peak 720
assign (resid 914 and name   HA ) (resid 917 and name  HE+ ) 3.86 3.86 0.00 
  peak 537
assign (resid 882 and name  HG2 ) (resid 891 and name  HE3 ) 5.50 5.50 0.00 
  peak 792
assign (resid 870 and name   HA ) (resid 872 and name   HN ) 4.62 4.62 0.00 
  peak 723
assign (resid 877 and name  HB1 ) (resid 879 and name   HN ) 4.71 4.71 0.00 
  peak 819
assign (resid 873 and name   HN ) (resid 874 and name   HN ) 3.04 3.04 0.00 
  peak 820
assign (resid 890 and name   HN ) (resid 891 and name   HA ) 5.11 5.11 0.00 
  peak 726
assign (resid 883 and name HG11 ) (resid 884 and name  HA1 ) 5.20 5.20 0.00 
  peak 824
assign (resid 862 and name   HN ) (resid 863 and name   HN ) 3.56 3.56 0.00 
  peak 822
assign (resid 891 and name   HA ) (resid 892 and name   HN ) 3.20 3.20 0.00 
  peak 727
assign (resid 914 and name   HN ) (resid 915 and name  HB+ ) 4.33 4.33 0.00 
  peak 263
assign (resid 860 and name  HB+ ) (resid 864 and name  HA2 ) 4.55 4.55 0.00 
  peak 833
assign (resid 913 and name  HB+ ) (resid 913 and name  HE+ ) 4.26 4.26 0.00 
  peak 38
assign (resid 905 and name   HN ) (resid 906 and name   HN ) 3.54 3.54 0.00 
  peak 824
assign (resid 883 and name   HN ) (resid 893 and name   HA ) 4.92 4.92 0.00 
  peak 730
assign (resid   4 and name HM++ ) (resid 868 and name  HE1 ) 4.71 4.71 0.00 
  peak 269
assign (resid 872 and name  HA2 ) (resid 896 and name  HB1 ) 5.48 5.48 0.00 
  peak 835
assign (resid 913 and name  HB+ ) (resid 914 and name   HN ) 3.26 3.26 0.00 
  peak 480
assign (resid 861 and name   HN ) (resid 865 and name   HN ) 3.70 3.70 0.00 
  peak 826
assign (resid 893 and name   HA ) (resid 894 and name   HN ) 3.31 3.31 0.00 
  peak 731
assign (resid   4 and name   HN ) (resid 882 and name   HN ) 4.13 4.13 0.00 
  peak 271
assign (resid 858 and name HG2+ ) (resid 866 and name  HG2 ) 4.64 4.64 0.00 
  peak 847
assign (resid 913 and name  HB+ ) (resid 915 and name   HN ) 5.34 5.34 0.00 
  peak 1148
assign (resid 864 and name   HN ) (resid 865 and name   HN ) 3.22 3.22 0.00 
  peak 827
assign (resid 896 and name  HB1 ) (resid 897 and name   HN ) 4.47 4.47 0.00 
  peak 278
assign (resid 899 and name HG2+ ) (resid 901 and name   HA ) 4.20 4.20 0.00 
  peak 849
assign (resid 913 and name  HG+ ) (resid 913 and name  HE+ ) 3.37 3.37 0.00 
  peak 29
assign (resid 909 and name   HN ) (resid 910 and name   HZ ) 4.84 4.84 0.00 
  peak 830
assign (resid 893 and name  HB1 ) (resid 894 and name   HN ) 4.14 4.14 0.00 
  peak 279
assign (resid 913 and name  HG+ ) (resid 914 and name   HN ) 5.08 5.08 0.00 
  peak 1257
assign (resid 872 and name   HN ) (resid 873 and name   HN ) 3.40 3.40 0.00 
  peak 832
assign (resid 874 and name  HB1 ) (resid 875 and name   HN ) 4.92 4.92 0.00 
  peak 280
assign (resid 915 and name   HA ) (resid 918 and name HG1+ ) 3.67 3.67 0.00 
  peak 2417
assign (resid 888 and name   HN ) (resid 890 and name   HN ) 4.85 4.85 0.00 
  peak 833
assign (resid 905 and name   HN ) (resid 905 and name  HB2 ) 3.68 3.68 0.00 
  peak 281
assign (resid 915 and name  HB+ ) (resid 916 and name  HB+ ) 4.57 4.57 0.00 
  peak 2356
assign (resid 885 and name   HN ) (resid 911 and name   HN ) 5.50 5.50 0.00 
  peak 837
assign (resid 912 and name  HB2 ) (resid 913 and name   HN ) 4.52 4.52 0.00 
  peak 285
assign (resid 916 and name   HN ) (resid 916 and name  HB+ ) 3.06 3.06 0.00 
  peak 643
assign (resid 879 and name   HN ) (resid 880 and name   HN ) 3.39 3.39 0.00 
  peak 840
assign (resid 908 and name   HN ) (resid 909 and name   HN ) 4.63 4.63 0.00 
  peak 287
assign (resid 916 and name   HN ) (resid 918 and name HG1+ ) 4.27 4.27 0.00 
  peak 2107
assign (resid 916 and name   HA ) (resid 916 and name HD2+ ) 4.51 4.51 0.00 
  peak 200
assign (resid 915 and name   HA ) (resid 917 and name  HE+ ) 4.87 4.87 0.00 
  peak 538
assign (resid 859 and name HG12 ) (resid 867 and name   HB ) 4.13 4.13 0.00 
  peak 547
assign (resid 857 and name   HA ) (resid 869 and name   HB ) 4.15 4.15 0.00 
  peak 552
assign (resid 899 and name   HN ) (resid 899 and name   HB ) 4.02 4.02 0.00 
  peak 574
assign (resid 886 and name  HB1 ) (resid 909 and name   HN ) 5.26 5.26 0.00 
  peak 643
assign (resid 876 and name   HA ) (resid 877 and name   HN ) 3.24 3.24 0.00 
  peak 733
assign (resid 883 and name HG2+ ) (resid 909 and name  HH2 ) 4.45 4.45 0.00 
  peak 657
assign (resid 870 and name   HN ) (resid 876 and name   HA ) 3.81 3.81 0.00 
  peak 737
assign (resid 883 and name HG2+ ) (resid 892 and name  HB1 ) 4.78 4.78 0.00 
  peak 658
assign (resid 918 and name HG2+ ) (resid 919 and name   HN ) 4.09 4.09 0.00 
  peak 854
assign (resid 893 and name   HA ) (resid 893 and name  HD2 ) 4.09 4.09 0.00 
  peak 747
assign (resid 883 and name HG2+ ) (resid 885 and name  HB2 ) 4.70 4.70 0.00 
  peak 659
assign (resid 883 and name HG11 ) (resid 903 and name  HD1 ) 5.50 5.50 0.00 
  peak 863
assign (resid 893 and name  HB2 ) (resid 896 and name   HN ) 3.51 3.51 0.00 
  peak 748
assign (resid 899 and name HD1+ ) (resid 901 and name   HN ) 4.42 4.42 0.00 
  peak 660
assign (resid 883 and name HG2+ ) (resid 899 and name HG12 ) 4.52 4.52 0.00 
  peak 865
assign (resid 910 and name   HA ) (resid 910 and name  HD+ ) 3.84 3.84 0.00 
  peak 749
assign (resid 869 and name HD1+ ) (resid 876 and name  HB1 ) 3.99 3.99 0.00 
  peak 661
assign (resid 868 and name  HB1 ) (resid 882 and name  HE+ ) 3.76 3.76 0.00 
  peak 879
assign (resid 883 and name   HA ) (resid 891 and name  HZ3 ) 4.11 4.11 0.00 
  peak 752
assign (resid 867 and name HG2+ ) (resid 876 and name   HA ) 4.43 4.43 0.00 
  peak 881
assign (resid 889 and name   HN ) (resid 890 and name   HN ) 3.55 3.55 0.00 
  peak 841
assign (resid 892 and name   HA ) (resid 892 and name  HD+ ) 4.63 4.63 0.00 
  peak 753
assign (resid 867 and name HG2+ ) (resid 877 and name  HB2 ) 4.65 4.65 0.00 
  peak 884
assign (resid 869 and name   HN ) (resid 870 and name   HN ) 4.62 4.62 0.00 
  peak 844
assign (resid 882 and name   HA ) (resid 893 and name   HA ) 3.89 3.89 0.00 
  peak 754
assign (resid 914 and name   HA ) (resid 916 and name   HN ) 4.49 4.49 0.00 
  peak 295
assign (resid 867 and name HG2+ ) (resid 868 and name  HB2 ) 5.04 5.04 0.00 
  peak 885
assign (resid 858 and name   HN ) (resid 859 and name   HN ) 4.66 4.66 0.00 
  peak 845
assign (resid 913 and name  HB2 ) (resid 914 and name   HN ) 3.80 3.80 0.00 
  peak 302
assign (resid 858 and name HG2+ ) (resid 868 and name  HZ2 ) 4.72 4.72 0.00 
  peak 887
assign (resid 907 and name   HN ) (resid 908 and name   HN ) 4.60 4.60 0.00 
  peak 849
assign (resid 912 and name   HA ) (resid 914 and name   HN ) 5.24 5.24 0.00 
  peak 755
assign (resid 923 and name   HA ) (resid 924 and name   HN ) 3.28 3.28 0.00 
  peak 303
assign (resid 858 and name HG2+ ) (resid 868 and name   HA ) 4.58 4.58 0.00 
  peak 888
assign (resid 874 and name   HN ) (resid 875 and name   HN ) 3.39 3.39 0.00 
  peak 850
assign (resid 859 and name   HN ) (resid 860 and name   HN ) 4.47 4.47 0.00 
  peak 307
assign (resid 858 and name HG1+ ) (resid 868 and name  HD1 ) 4.96 4.96 0.00 
  peak 894
assign (resid 873 and name   HN ) (resid 875 and name   HN ) 4.05 4.05 0.00 
  peak 851
assign (resid 855 and name   HN ) (resid 856 and name   HN ) 4.17 4.17 0.00 
  peak 312
assign (resid 894 and name  HH2 ) (resid 902 and name   HN ) 3.64 3.64 0.00 
  peak 854
assign (resid 904 and name  HB1 ) (resid 905 and name   HN ) 3.94 3.94 0.00 
  peak 316
assign (resid 894 and name  HZ2 ) (resid 902 and name   HN ) 4.52 4.52 0.00 
  peak 855
assign (resid 905 and name   HN ) (resid 905 and name  HB1 ) 3.68 3.68 0.00 
  peak 318
assign (resid 860 and name   HN ) (resid 861 and name   HN ) 4.61 4.61 0.00 
  peak 858
assign (resid 901 and name   HA ) (resid 902 and name   HN ) 2.97 2.97 0.00 
  peak 321
assign (resid 857 and name   HN ) (resid 857 and name  HD+ ) 3.80 3.80 0.00 
  peak 862
assign (resid 901 and name  HB+ ) (resid 902 and name   HN ) 3.10 3.10 0.00 
  peak 322
assign (resid 883 and name HG2+ ) (resid 883 and name HG11 ) 3.90 3.90 0.00 
  peak 1751
assign (resid 899 and name HG2+ ) (resid 902 and name   HN ) 4.79 4.79 0.00 
  peak 323
assign (resid 883 and name HG2+ ) (resid 899 and name   HB ) 4.40 4.40 0.00 
  peak 1751
assign (resid   3 and name HG2+ ) (resid 883 and name HG2+ ) 4.41 4.41 0.00 
  peak 1753
assign (resid 883 and name HG2+ ) (resid 883 and name HG12 ) 3.75 3.75 0.00 
  peak 1759
assign (resid 859 and name   HB ) (resid 859 and name HD1+ ) 3.26 3.26 0.00 
  peak 1762
assign (resid 918 and name   HB ) (resid 918 and name HD1+ ) 3.31 3.31 0.00 
  peak 1765
assign (resid   1 and name  HB+ ) (resid 883 and name HG12 ) 3.96 3.96 0.00 
  peak 1768
assign (resid 897 and name   HA ) (resid 897 and name HG1+ ) 3.27 3.27 0.00 
  peak 1773
assign (resid   2 and name   HA ) (resid   2 and name  HG+ ) 3.43 3.43 0.00 
  peak 1775
assign (resid 867 and name   HB ) (resid 869 and name HD1+ ) 4.34 4.34 0.00 
  peak 662
assign (resid 859 and name HD1+ ) (resid 860 and name   HN ) 4.44 4.44 0.00 
  peak 663
assign (resid 869 and name HG2+ ) (resid 874 and name   HN ) 4.52 4.52 0.00 
  peak 665
assign (resid 857 and name   HA ) (resid 869 and name HG2+ ) 4.83 4.83 0.00 
  peak 666
assign (resid 892 and name  HB2 ) (resid 897 and name HG2+ ) 3.92 3.92 0.00 
  peak 667
assign (resid 894 and name   HN ) (resid 896 and name  HB2 ) 4.98 4.98 0.00 
  peak 757
assign (resid 883 and name HG2+ ) (resid 897 and name HG1+ ) 4.43 4.43 0.00 
  peak 670
assign (resid 912 and name  HD+ ) (resid 914 and name   HN ) 4.79 4.79 0.00 
  peak 758
assign (resid 867 and name HG2+ ) (resid 877 and name  HB1 ) 4.65 4.65 0.00 
  peak 672
assign (resid 858 and name HG1+ ) (resid 868 and name   HA ) 4.58 4.58 0.00 
  peak 895
assign (resid 900 and name   HN ) (resid 900 and name  HG1 ) 3.99 3.99 0.00 
  peak 760
assign (resid 882 and name  HE+ ) (resid 891 and name   HA ) 4.43 4.43 0.00 
  peak 674
assign (resid 858 and name HG1+ ) (resid 866 and name  HG2 ) 4.64 4.64 0.00 
  peak 897
assign (resid 921 and name  HB2 ) (resid 922 and name   HN ) 4.91 4.91 0.00 
  peak 762
assign (resid 899 and name HD1+ ) (resid 903 and name  HD2 ) 4.58 4.58 0.00 
  peak 681
assign (resid 858 and name HG1+ ) (resid 866 and name  HB1 ) 4.48 4.48 0.00 
  peak 898
assign (resid 921 and name  HB1 ) (resid 922 and name   HN ) 4.91 4.91 0.00 
  peak 763
assign (resid 883 and name HD1+ ) (resid 903 and name  HD1 ) 4.51 4.51 0.00 
  peak 683
assign (resid 858 and name   HA ) (resid 868 and name   HA ) 4.03 4.03 0.00 
  peak 899
assign (resid 861 and name  HB2 ) (resid 864 and name   HN ) 5.01 5.01 0.00 
  peak 764
assign (resid 857 and name  HE+ ) (resid 871 and name  HB2 ) 5.20 5.20 0.00 
  peak 900
assign (resid 911 and name   HN ) (resid 914 and name   HN ) 4.59 4.59 0.00 
  peak 864
assign (resid 855 and name  HG+ ) (resid 856 and name   HN ) 4.92 4.92 0.00 
  peak 765
assign (resid 857 and name  HD+ ) (resid 869 and name HD1+ ) 4.85 4.85 0.00 
  peak 904
assign (resid 913 and name   HN ) (resid 914 and name   HN ) 3.12 3.12 0.00 
  peak 866
assign (resid 905 and name   HN ) (resid 905 and name  HG1 ) 3.90 3.90 0.00 
  peak 767
assign (resid   3 and name HG2+ ) (resid 883 and name HG12 ) 4.65 4.65 0.00 
  peak 908
assign (resid 914 and name   HN ) (resid 916 and name   HN ) 4.49 4.49 0.00 
  peak 867
assign (resid 866 and name  HG2 ) (resid 867 and name   HN ) 4.11 4.11 0.00 
  peak 768
assign (resid   3 and name HG2+ ) (resid 883 and name   HB ) 4.05 4.05 0.00 
  peak 910
assign (resid 888 and name   HN ) (resid 889 and name   HN ) 3.50 3.50 0.00 
  peak 877
assign (resid   8 and name   HN ) (resid   8 and name  HG+ ) 4.91 4.91 0.00 
  peak 772
assign (resid   1 and name   HA ) (resid 883 and name HD1+ ) 4.85 4.85 0.00 
  peak 913
assign (resid 877 and name   HN ) (resid 878 and name   HN ) 4.71 4.71 0.00 
  peak 878
assign (resid 859 and name HD1+ ) (resid 867 and name   HB ) 4.39 4.39 0.00 
  peak 914
assign (resid 863 and name   HN ) (resid 864 and name   HN ) 2.90 2.90 0.00 
  peak 888
assign (resid 863 and name   HN ) (resid 863 and name  HE3 ) 4.04 4.04 0.00 
  peak 898
assign (resid 870 and name   HN ) (resid 875 and name   HN ) 4.27 4.27 0.00 
  peak 899
assign (resid 870 and name   HN ) (resid 893 and name  HE1 ) 3.94 3.94 0.00 
  peak 900
assign (resid 866 and name   HA ) (resid 867 and name HG12 ) 4.21 4.21 0.00 
  peak 1782
assign (resid 897 and name   HN ) (resid 899 and name   HN ) 3.90 3.90 0.00 
  peak 911
assign (resid 867 and name   HA ) (resid 867 and name HG2+ ) 3.45 3.45 0.00 
  peak 1787
assign (resid 907 and name   HA ) (resid 907 and name  HG+ ) 3.45 3.45 0.00 
  peak 1788
assign (resid 894 and name   HA ) (resid 897 and name HG2+ ) 3.53 3.53 0.00 
  peak 1791
assign (resid 869 and name HG2+ ) (resid 874 and name   HA ) 3.19 3.19 0.00 
  peak 1793
assign (resid 908 and name   HA ) (resid 908 and name  HG1 ) 3.72 3.72 0.00 
  peak 1797
assign (resid 859 and name   HA ) (resid 859 and name HG2+ ) 3.14 3.14 0.00 
  peak 1802
assign (resid   6 and name   HA ) (resid   6 and name HG2+ ) 3.34 3.34 0.00 
  peak 1814
assign (resid 869 and name   HA ) (resid 869 and name HG2+ ) 3.41 3.41 0.00 
  peak 1821
assign (resid 914 and name   HA ) (resid 917 and name  HG2 ) 3.70 3.70 0.00 
  peak 1824
assign (resid 883 and name HD1+ ) (resid 902 and name   HA ) 4.82 4.82 0.00 
  peak 688
assign (resid 869 and name HG2+ ) (resid 876 and name  HD2 ) 4.94 4.94 0.00 
  peak 691
assign (resid 869 and name HD1+ ) (resid 876 and name  HD2 ) 5.42 5.42 0.00 
  peak 691
assign (resid 885 and name  HB2 ) (resid 911 and name   HA ) 5.19 5.19 0.00 
  peak 699
assign (resid 861 and name   HA ) (resid 862 and name   HA ) 4.53 4.53 0.00 
  peak 701
assign (resid 915 and name  HB+ ) (resid 917 and name   HN ) 5.05 5.05 0.00 
  peak 777
assign (resid 861 and name   HA ) (resid 862 and name  HG+ ) 4.64 4.64 0.00 
  peak 706
assign (resid 888 and name  HB2 ) (resid 889 and name   HN ) 4.40 4.40 0.00 
  peak 778
assign (resid 870 and name   HA ) (resid 871 and name  HG2 ) 4.60 4.60 0.00 
  peak 707
assign (resid 873 and name   HN ) (resid 873 and name  HB2 ) 3.95 3.95 0.00 
  peak 779
assign (resid 891 and name   HA ) (resid 891 and name  HE3 ) 4.78 4.78 0.00 
  peak 709
assign (resid 860 and name   HA ) (resid 860 and name  HD+ ) 4.28 4.28 0.00 
  peak 1000
assign (resid 863 and name  HB1 ) (resid 864 and name   HN ) 4.42 4.42 0.00 
  peak 781
assign (resid 891 and name   HA ) (resid 892 and name  HD+ ) 5.34 5.34 0.00 
  peak 709
assign (resid 862 and name   HA ) (resid 862 and name  HG+ ) 3.73 3.73 0.00 
  peak 1020
assign (resid 915 and name   HA ) (resid 918 and name   HN ) 4.20 4.20 0.00 
  peak 782
assign (resid 887 and name   HA ) (resid 910 and name  HE+ ) 4.49 4.49 0.00 
  peak 711
assign (resid 866 and name   HA ) (resid 866 and name  HG2 ) 4.21 4.21 0.00 
  peak 1073
assign (resid 883 and name   HN ) (resid 892 and name   HN ) 3.79 3.79 0.00 
  peak 785
assign (resid 867 and name   HB ) (resid 867 and name HD1+ ) 3.51 3.51 0.00 
  peak 1086
assign (resid 898 and name   HN ) (resid 899 and name   HN ) 3.41 3.41 0.00 
  peak 912
assign (resid 883 and name   HN ) (resid 894 and name   HN ) 4.94 4.94 0.00 
  peak 786
assign (resid 867 and name HG2+ ) (resid 867 and name HD1+ ) 3.27 3.27 0.00 
  peak 1090
assign (resid 868 and name  HD1 ) (resid 891 and name   HN ) 4.25 4.25 0.00 
  peak 915
assign (resid 887 and name   HN ) (resid 910 and name  HE+ ) 4.52 4.52 0.00 
  peak 787
assign (resid 867 and name HG2+ ) (resid 867 and name HG11 ) 3.39 3.39 0.00 
  peak 1101
assign (resid 868 and name   HN ) (resid 868 and name  HD1 ) 5.23 5.23 0.00 
  peak 916
assign (resid 887 and name   HN ) (resid 910 and name  HD+ ) 4.00 4.00 0.00 
  peak 788
assign (resid 869 and name   HA ) (resid 869 and name HD1+ ) 3.53 3.53 0.00 
  peak 1121
assign (resid 868 and name  HD1 ) (resid 891 and name  HD1 ) 3.64 3.64 0.00 
  peak 919
assign (resid 886 and name   HN ) (resid 887 and name   HN ) 3.95 3.95 0.00 
  peak 789
assign (resid 869 and name   HB ) (resid 869 and name HD1+ ) 3.66 3.66 0.00 
  peak 1122
assign (resid 863 and name  HE3 ) (resid 864 and name   HN ) 5.26 5.26 0.00 
  peak 923
assign (resid 869 and name HG2+ ) (resid 869 and name HG11 ) 3.63 3.63 0.00 
  peak 1131
assign (resid 908 and name HE21 ) (resid 909 and name   HN ) 4.25 4.25 0.00 
  peak 925
assign (resid 884 and name   HN ) (resid 885 and name   HN ) 4.73 4.73 0.00 
  peak 934
assign (resid 875 and name   HN ) (resid 893 and name  HE1 ) 4.09 4.09 0.00 
  peak 937
assign (resid 915 and name   HN ) (resid 917 and name   HN ) 4.69 4.69 0.00 
  peak 946
assign (resid 918 and name   HA ) (resid 918 and name HG2+ ) 3.29 3.29 0.00 
  peak 1826
assign (resid 891 and name   HN ) (resid 891 and name  HD1 ) 3.89 3.89 0.00 
  peak 949
assign (resid 875 and name  HB1 ) (resid 876 and name  HD2 ) 4.05 4.05 0.00 
  peak 1832
assign (resid 880 and name   HA ) (resid 881 and name  HD2 ) 3.40 3.40 0.00 
  peak 1842
assign (resid 880 and name   HA ) (resid 881 and name  HD1 ) 3.40 3.40 0.00 
  peak 1843
assign (resid   2 and name  HB1 ) (resid   2 and name  HD+ ) 3.10 3.10 0.00 
  peak 1850
assign (resid 894 and name  HB1 ) (resid 899 and name   HB ) 3.06 3.06 0.00 
  peak 1853
assign (resid 875 and name  HG1 ) (resid 875 and name  HE+ ) 3.40 3.40 0.00 
  peak 1855
assign (resid 860 and name  HB+ ) (resid 860 and name  HD+ ) 3.15 3.15 0.00 
  peak 1857
assign (resid 892 and name  HB1 ) (resid 897 and name HG1+ ) 3.43 3.43 0.00 
  peak 1863
assign (resid 892 and name  HB2 ) (resid 897 and name HG1+ ) 3.49 3.49 0.00 
  peak 1865
assign (resid 875 and name  HB1 ) (resid 875 and name  HD+ ) 3.83 3.83 0.00 
  peak 1187
assign (resid 870 and name  HB2 ) (resid 882 and name  HE+ ) 3.49 3.49 0.00 
  peak 1286
assign (resid 882 and name  HG2 ) (resid 882 and name  HE+ ) 3.65 3.65 0.00 
  peak 1286
assign (resid 884 and name  HA2 ) (resid 891 and name   HA ) 3.93 3.93 0.00 
  peak 1351
assign (resid 891 and name  HB1 ) (resid 892 and name   HN ) 4.24 4.24 0.00 
  peak 1359
assign (resid 894 and name   HN ) (resid 896 and name   HN ) 4.50 4.50 0.00 
  peak 955
assign (resid 897 and name   HA ) (resid 897 and name HG2+ ) 4.20 4.20 0.00 
  peak 1447
assign (resid 896 and name   HN ) (resid 899 and name   HN ) 4.72 4.72 0.00 
  peak 956
assign (resid 899 and name   HA ) (resid 899 and name HD1+ ) 3.49 3.49 0.00 
  peak 1463
assign (resid 894 and name  HH2 ) (resid 902 and name   HA ) 3.87 3.87 0.00 
  peak 50
assign (resid 883 and name   HN ) (resid 891 and name  HE3 ) 4.25 4.25 0.00 
  peak 974
assign (resid 866 and name  HB2 ) (resid 868 and name  HZ3 ) 4.10 4.10 0.00 
  peak 52
assign (resid 899 and name   HA ) (resid 899 and name HG2+ ) 3.54 3.54 0.00 
  peak 1480
assign (resid 892 and name   HN ) (resid 892 and name  HD+ ) 4.12 4.12 0.00 
  peak 976
assign (resid   1 and name  HB+ ) (resid 909 and name   HN ) 3.94 3.94 0.00 
  peak 54
assign (resid 899 and name HG2+ ) (resid 899 and name HG11 ) 3.63 3.63 0.00 
  peak 1483
assign (resid 894 and name  HZ3 ) (resid 902 and name   HN ) 4.46 4.46 0.00 
  peak 980
assign (resid   2 and name  HG+ ) (resid 891 and name  HZ3 ) 4.92 4.92 0.00 
  peak 58
assign (resid 905 and name   HA ) (resid 905 and name  HG1 ) 4.18 4.18 0.00 
  peak 1573
assign (resid 910 and name   HN ) (resid 910 and name  HD+ ) 3.58 3.58 0.00 
  peak 982
assign (resid   2 and name  HG+ ) (resid 891 and name  HH2 ) 3.58 3.58 0.00 
  peak 59
assign (resid 866 and name  HB1 ) (resid 867 and name   HN ) 4.13 4.13 0.00 
  peak 1230
assign (resid   4 and name   HN ) (resid 891 and name  HH2 ) 4.62 4.62 0.00 
  peak 988
assign (resid   1 and name  HB+ ) (resid 909 and name  HB2 ) 3.39 3.39 0.00 
  peak 61
assign (resid 859 and name   HB ) (resid 867 and name   HN ) 5.50 5.50 0.00 
  peak 1232
assign (resid 892 and name   HN ) (resid 909 and name  HZ3 ) 4.98 4.98 0.00 
  peak 994
assign (resid   1 and name  HB+ ) (resid 909 and name  HB1 ) 3.42 3.42 0.00 
  peak 62
assign (resid 861 and name   HN ) (resid 867 and name HG11 ) 4.88 4.88 0.00 
  peak 1239
assign (resid   4 and name   HN ) (resid 891 and name  HZ3 ) 4.04 4.04 0.00 
  peak 996
assign (resid   3 and name HG2+ ) (resid 902 and name   HA ) 4.02 4.02 0.00 
  peak 63
assign (resid 869 and name HG2+ ) (resid 876 and name  HD1 ) 4.38 4.38 0.00 
  peak 1867
assign (resid 859 and name HG2+ ) (resid 867 and name   HN ) 5.50 5.50 0.00 
  peak 1241
assign (resid 884 and name   HN ) (resid 891 and name  HZ3 ) 4.38 4.38 0.00 
  peak 997
assign (resid   5 and name   HA ) (resid 882 and name   HN ) 4.58 4.58 0.00 
  peak 64
assign (resid 893 and name  HB1 ) (resid 897 and name HG2+ ) 5.47 5.47 0.00 
  peak 1868
assign (resid 859 and name HD1+ ) (resid 867 and name   HN ) 5.50 5.50 0.00 
  peak 1241
assign (resid   8 and name   HA ) (resid   8 and name  HG+ ) 3.77 3.77 0.00 
  peak 65
assign (resid 897 and name HG1+ ) (resid 911 and name   HA ) 4.21 4.21 0.00 
  peak 1870
assign (resid 861 and name   HN ) (resid 865 and name  HB2 ) 4.43 4.43 0.00 
  peak 1244
assign (resid 857 and name  HB1 ) (resid 869 and name HG2+ ) 4.75 4.75 0.00 
  peak 1871
assign (resid   2 and name  HB1 ) (resid   3 and name   HN ) 4.22 4.22 0.00 
  peak 1262
assign (resid 857 and name  HB1 ) (resid 869 and name HD1+ ) 5.18 5.18 0.00 
  peak 1871
assign (resid 854 and name   HN ) (resid 854 and name  HB+ ) 3.77 3.77 0.00 
  peak 1264
assign (resid 896 and name  HB2 ) (resid 897 and name HG1+ ) 4.49 4.49 0.00 
  peak 1873
assign (resid 896 and name  HB2 ) (resid 897 and name HG2+ ) 4.90 4.90 0.00 
  peak 1873
assign (resid 894 and name   HN ) (resid 897 and name HG2+ ) 4.71 4.71 0.00 
  peak 1282
assign (resid 869 and name HG2+ ) (resid 870 and name  HB1 ) 4.66 4.66 0.00 
  peak 1874
assign (resid 899 and name HD1+ ) (resid 902 and name   HA ) 5.11 5.11 0.00 
  peak 1876
assign (resid 897 and name HG1+ ) (resid 912 and name  HD+ ) 3.72 3.72 0.00 
  peak 1879
assign (resid 906 and name   HA ) (resid 906 and name  HG1 ) 3.98 3.98 0.00 
  peak 1588
assign (resid 913 and name   HA ) (resid 913 and name  HG2 ) 4.20 4.20 0.00 
  peak 1677
assign (resid 913 and name   HA ) (resid 913 and name  HG1 ) 4.20 4.20 0.00 
  peak 1678
assign (resid 913 and name  HG1 ) (resid 913 and name  HE+ ) 4.09 4.09 0.00 
  peak 1695
assign (resid 917 and name   HA ) (resid 917 and name  HG2 ) 4.06 4.06 0.00 
  peak 1734
assign (resid 883 and name   HN ) (resid 894 and name  HD1 ) 4.09 4.09 0.00 
  peak 999
assign (resid 917 and name   HA ) (resid 917 and name  HG1 ) 3.70 3.70 0.00 
  peak 1735
assign (resid 894 and name   HN ) (resid 894 and name  HD1 ) 3.72 3.72 0.00 
  peak 1000
assign (resid   3 and name   HA ) (resid 884 and name   HN ) 4.48 4.48 0.00 
  peak 68
assign (resid 917 and name  HG2 ) (resid 917 and name  HD+ ) 2.93 2.93 0.00 
  peak 1744
assign (resid   3 and name   HA ) (resid   4 and name   HN ) 3.60 3.60 0.00 
  peak 1003
assign (resid   2 and name  HB1 ) (resid 891 and name  HH2 ) 4.05 4.05 0.00 
  peak 69
assign (resid 917 and name  HB1 ) (resid 917 and name  HE+ ) 4.28 4.28 0.00 
  peak 1748
assign (resid 882 and name   HA ) (resid 883 and name   HN ) 3.50 3.50 0.00 
  peak 1004
assign (resid   4 and name HM++ ) (resid 877 and name  HB1 ) 3.86 3.86 0.00 
  peak 80
assign (resid 917 and name  HB2 ) (resid 917 and name  HE+ ) 4.02 4.02 0.00 
  peak 1749
assign (resid 892 and name   HA ) (resid 893 and name   HN ) 3.19 3.19 0.00 
  peak 1005
assign (resid   4 and name HM++ ) (resid 868 and name  HZ3 ) 4.01 4.01 0.00 
  peak 81
assign (resid 918 and name HG2+ ) (resid 918 and name HD1+ ) 3.26 3.26 0.00 
  peak 1777
assign (resid 882 and name   HA ) (resid 894 and name   HN ) 3.85 3.85 0.00 
  peak 1007
assign (resid   4 and name HM++ ) (resid 891 and name  HZ2 ) 3.89 3.89 0.00 
  peak 82
assign (resid 859 and name   HB ) (resid 860 and name   HN ) 3.28 3.28 0.00 
  peak 1300
assign (resid 882 and name   HA ) (resid 894 and name  HE1 ) 4.53 4.53 0.00 
  peak 1008
assign (resid   4 and name HM++ ) (resid 891 and name  HD1 ) 4.00 4.00 0.00 
  peak 83
assign (resid 855 and name  HB1 ) (resid 856 and name   HN ) 4.70 4.70 0.00 
  peak 1310
assign (resid 893 and name  HD2 ) (resid 894 and name   HN ) 4.80 4.80 0.00 
  peak 1011
assign (resid 897 and name   HB ) (resid 909 and name  HZ2 ) 3.41 3.41 0.00 
  peak 99
assign (resid 918 and name   HB ) (resid 919 and name   HN ) 3.38 3.38 0.00 
  peak 1319
assign (resid 886 and name   HN ) (resid 888 and name   HN ) 4.97 4.97 0.00 
  peak 1013
assign (resid 897 and name HG2+ ) (resid 909 and name  HZ2 ) 3.04 3.04 0.00 
  peak 102
assign (resid 869 and name HG2+ ) (resid 874 and name  HB1 ) 5.13 5.13 0.00 
  peak 1880
assign (resid 881 and name  HB1 ) (resid 894 and name  HE1 ) 5.21 5.21 0.00 
  peak 1329
assign (resid 899 and name HD1+ ) (resid 909 and name  HD1 ) 3.94 3.94 0.00 
  peak 103
assign (resid 903 and name  HB1 ) (resid 904 and name  HD2 ) 4.27 4.27 0.00 
  peak 1881
assign (resid 894 and name  HE1 ) (resid 899 and name   HB ) 5.32 5.32 0.00 
  peak 1333
assign (resid 883 and name HD1+ ) (resid 909 and name  HD1 ) 4.05 4.05 0.00 
  peak 105
assign (resid 900 and name   HA ) (resid 900 and name  HG2 ) 4.16 4.16 0.00 
  peak 1883
assign (resid 861 and name  HB1 ) (resid 863 and name   HN ) 4.61 4.61 0.00 
  peak 1337
assign (resid 900 and name   HA ) (resid 900 and name  HG1 ) 4.16 4.16 0.00 
  peak 1884
assign (resid 912 and name  HG1 ) (resid 913 and name   HN ) 4.69 4.69 0.00 
  peak 1344
assign (resid 867 and name   HA ) (resid 867 and name HG11 ) 3.92 3.92 0.00 
  peak 1885
assign (resid 889 and name   HN ) (resid 889 and name  HB1 ) 4.07 4.07 0.00 
  peak 1350
assign (resid 899 and name   HA ) (resid 899 and name HG12 ) 4.02 4.02 0.00 
  peak 1887
assign (resid 917 and name  HG2 ) (resid 918 and name   HN ) 4.67 4.67 0.00 
  peak 1359
assign (resid 899 and name   HA ) (resid 899 and name HG11 ) 4.22 4.22 0.00 
  peak 1888
assign (resid 915 and name  HB+ ) (resid 916 and name   HN ) 3.51 3.51 0.00 
  peak 1383
assign (resid 897 and name HG2+ ) (resid 899 and name   HA ) 4.58 4.58 0.00 
  peak 1889
assign (resid 918 and name HG2+ ) (resid 919 and name   HA ) 4.27 4.27 0.00 
  peak 1891
assign (resid 869 and name HG2+ ) (resid 871 and name   HA ) 4.28 4.28 0.00 
  peak 1892
assign (resid 918 and name HG2+ ) (resid 918 and name HG12 ) 3.99 3.99 0.00 
  peak 1788
assign (resid 918 and name HG2+ ) (resid 918 and name HG11 ) 3.99 3.99 0.00 
  peak 1791
assign (resid 919 and name   HA ) (resid 919 and name  HD+ ) 4.75 4.75 0.00 
  peak 1797
assign (resid 919 and name   HA ) (resid 919 and name  HG+ ) 3.76 3.76 0.00 
  peak 1798
assign (resid 923 and name   HA ) (resid 923 and name  HG+ ) 3.93 3.93 0.00 
  peak 1801
assign (resid 885 and name   HN ) (resid 886 and name   HN ) 4.65 4.65 0.00 
  peak 1016
assign (resid 920 and name   HA ) (resid 920 and name  HD+ ) 4.29 4.29 0.00 
  peak 1803
assign (resid 861 and name   HN ) (resid 864 and name   HN ) 4.06 4.06 0.00 
  peak 1017
assign (resid 863 and name  HB1 ) (resid 863 and name  HD1 ) 3.69 3.69 0.00 
  peak 108
assign (resid 922 and name   HA ) (resid 922 and name  HG+ ) 4.08 4.08 0.00 
  peak 1816
assign (resid 867 and name   HN ) (resid 868 and name  HE3 ) 5.35 5.35 0.00 
  peak 1019
assign (resid 890 and name   HA ) (resid 891 and name  HD1 ) 4.18 4.18 0.00 
  peak 110
assign (resid 857 and name   HA ) (resid 859 and name HG2+ ) 4.54 4.54 0.00 
  peak 1829
assign (resid 916 and name  HB2 ) (resid 917 and name   HN ) 4.06 4.06 0.00 
  peak 1052
assign (resid 868 and name  HE1 ) (resid 891 and name  HD1 ) 3.66 3.66 0.00 
  peak 111
assign (resid 862 and name  HG+ ) (resid 864 and name   HN ) 4.40 4.40 0.00 
  peak 1830
assign (resid 909 and name  HZ2 ) (resid 911 and name  HB2 ) 4.89 4.89 0.00 
  peak 1080
assign (resid 868 and name  HE1 ) (resid 891 and name  HE1 ) 5.07 5.07 0.00 
  peak 112
assign (resid 872 and name  HA1 ) (resid 896 and name  HB1 ) 4.50 4.50 0.00 
  peak 1835
assign (resid 909 and name  HZ2 ) (resid 911 and name   HA ) 4.16 4.16 0.00 
  peak 1081
assign (resid 868 and name  HD1 ) (resid 890 and name   HA ) 5.07 5.07 0.00 
  peak 119
assign (resid 916 and name   HN ) (resid 917 and name  HG2 ) 4.46 4.46 0.00 
  peak 1387
assign (resid 884 and name  HA2 ) (resid 891 and name  HZ3 ) 4.89 4.89 0.00 
  peak 1091
assign (resid 868 and name  HD1 ) (resid 891 and name  HB2 ) 4.38 4.38 0.00 
  peak 120
assign (resid 869 and name HG2+ ) (resid 893 and name  HE1 ) 5.50 5.50 0.00 
  peak 1389
assign (resid 909 and name  HH2 ) (resid 911 and name   HA ) 3.90 3.90 0.00 
  peak 1094
assign (resid 863 and name   HN ) (resid 863 and name  HD1 ) 3.93 3.93 0.00 
  peak 123
assign (resid 917 and name   HN ) (resid 917 and name  HD+ ) 4.15 4.15 0.00 
  peak 1393
assign (resid 909 and name  HH2 ) (resid 912 and name  HD+ ) 4.23 4.23 0.00 
  peak 1095
assign (resid 882 and name   HA ) (resid 894 and name  HD1 ) 3.86 3.86 0.00 
  peak 124
assign (resid 918 and name   HA ) (resid 918 and name HD1+ ) 4.02 4.02 0.00 
  peak 1893
assign (resid   2 and name  HB1 ) (resid 891 and name  HZ2 ) 4.46 4.46 0.00 
  peak 1403
assign (resid 892 and name  HB2 ) (resid 909 and name  HH2 ) 4.46 4.46 0.00 
  peak 1096
assign (resid 894 and name   HA ) (resid 894 and name  HD1 ) 3.68 3.68 0.00 
  peak 125
assign (resid 915 and name   HA ) (resid 918 and name HD1+ ) 4.14 4.14 0.00 
  peak 1894
assign (resid 901 and name   HN ) (resid 901 and name  HB+ ) 3.16 3.16 0.00 
  peak 1406
assign (resid 883 and name   HB ) (resid 894 and name  HD1 ) 3.91 3.91 0.00 
  peak 126
assign (resid   3 and name   HA ) (resid   3 and name HG2+ ) 3.45 3.45 0.00 
  peak 1895
assign (resid   1 and name  HB+ ) (resid 909 and name  HE3 ) 4.55 4.55 0.00 
  peak 1410
assign (resid 917 and name   HA ) (resid 917 and name  HD+ ) 4.38 4.38 0.00 
  peak 1904
assign (resid 881 and name  HB1 ) (resid 894 and name  HZ2 ) 4.67 4.67 0.00 
  peak 1414
assign (resid 918 and name   HA ) (resid 918 and name HG11 ) 3.89 3.89 0.00 
  peak 1908
assign (resid 866 and name  HG1 ) (resid 868 and name  HH2 ) 5.25 5.25 0.00 
  peak 1420
assign (resid 894 and name  HB2 ) (resid 899 and name   HB ) 4.22 4.22 0.00 
  peak 1909
assign (resid 908 and name  HB2 ) (resid 910 and name  HD+ ) 5.01 5.01 0.00 
  peak 1430
assign (resid 884 and name  HA1 ) (resid 891 and name  HZ3 ) 4.68 4.68 0.00 
  peak 2022
assign (resid 915 and name   HA ) (resid 918 and name   HB ) 4.18 4.18 0.00 
  peak 1911
assign (resid 882 and name  HE+ ) (resid 891 and name  HE3 ) 4.09 4.09 0.00 
  peak 1431
assign (resid   2 and name  HB2 ) (resid 891 and name  HH2 ) 3.75 3.75 0.00 
  peak 2023
assign (resid 875 and name  HG1 ) (resid 876 and name  HD2 ) 4.67 4.67 0.00 
  peak 1912
assign (resid 908 and name  HB1 ) (resid 910 and name  HE+ ) 3.89 3.89 0.00 
  peak 2024
assign (resid 903 and name  HG2 ) (resid 904 and name  HD2 ) 4.64 4.64 0.00 
  peak 1913
assign (resid 866 and name  HG2 ) (resid 868 and name  HH2 ) 5.50 5.50 0.00 
  peak 2026
assign (resid 857 and name  HB1 ) (resid 869 and name   HB ) 4.06 4.06 0.00 
  peak 1915
assign (resid 910 and name   HN ) (resid 915 and name  HB+ ) 4.92 4.92 0.00 
  peak 2028
assign (resid   2 and name  HG+ ) (resid 884 and name   HN ) 5.13 5.13 0.00 
  peak 2030
assign (resid 873 and name   HN ) (resid 875 and name  HD+ ) 5.50 5.50 0.00 
  peak 2031
assign (resid 882 and name  HG1 ) (resid 891 and name  HZ3 ) 5.50 5.50 0.00 
  peak 2033
assign (resid 899 and name HG11 ) (resid 909 and name  HD1 ) 5.50 5.50 0.00 
  peak 2035
assign (resid 867 and name HG2+ ) (resid 868 and name  HE3 ) 5.37 5.37 0.00 
  peak 2036
assign (resid 872 and name  HA1 ) (resid 896 and name  HB2 ) 5.22 5.22 0.00 
  peak 1836
assign (resid 899 and name HG2+ ) (resid 903 and name  HG2 ) 5.21 5.21 0.00 
  peak 1839
assign (resid 904 and name  HB2 ) (resid 905 and name   HN ) 3.93 3.93 0.00 
  peak 1
assign (resid 899 and name HG2+ ) (resid 903 and name  HG1 ) 4.80 4.80 0.00 
  peak 3
assign (resid 882 and name  HE+ ) (resid 883 and name HG2+ ) 5.48 5.48 0.00 
  peak 5
assign (resid 909 and name  HH2 ) (resid 911 and name  HB1 ) 4.58 4.58 0.00 
  peak 1097
assign (resid   1 and name  HB+ ) (resid 899 and name HG2+ ) 5.01 5.01 0.00 
  peak 6
assign (resid 909 and name  HH2 ) (resid 911 and name  HB2 ) 4.54 4.54 0.00 
  peak 1098
assign (resid 883 and name HG2+ ) (resid 894 and name  HD1 ) 3.55 3.55 0.00 
  peak 127
assign (resid 899 and name HG2+ ) (resid 899 and name HD1+ ) 2.95 2.95 0.00 
  peak 11
assign (resid 882 and name  HB1 ) (resid 883 and name   HN ) 3.87 3.87 0.00 
  peak 1101
assign (resid 883 and name HD1+ ) (resid 894 and name  HD1 ) 4.78 4.78 0.00 
  peak 128
assign (resid 883 and name HD1+ ) (resid 899 and name HG2+ ) 3.82 3.82 0.00 
  peak 13
assign (resid 882 and name  HE+ ) (resid 883 and name   HN ) 4.51 4.51 0.00 
  peak 1103
assign (resid 894 and name  HD1 ) (resid 899 and name HG2+ ) 4.56 4.56 0.00 
  peak 129
assign (resid 883 and name HG2+ ) (resid 899 and name HG2+ ) 3.81 3.81 0.00 
  peak 14
assign (resid 877 and name  HB1 ) (resid 878 and name   HN ) 4.60 4.60 0.00 
  peak 1108
assign (resid 870 and name   HA ) (resid 892 and name   HA ) 4.14 4.14 0.00 
  peak 131
assign (resid 899 and name HD1+ ) (resid 909 and name  HZ2 ) 5.02 5.02 0.00 
  peak 20
assign (resid 904 and name  HB1 ) (resid 906 and name   HN ) 4.39 4.39 0.00 
  peak 1129
assign (resid 882 and name   HA ) (resid 882 and name  HG1 ) 4.21 4.21 0.00 
  peak 133
assign (resid 866 and name  HB2 ) (resid 866 and name HE21 ) 4.44 4.44 0.00 
  peak 1440
assign (resid 905 and name  HG2 ) (resid 906 and name   HN ) 5.01 5.01 0.00 
  peak 1130
assign (resid 885 and name   HA ) (resid 909 and name  HE3 ) 3.39 3.39 0.00 
  peak 156
assign (resid 892 and name   HN ) (resid 897 and name HG1+ ) 4.54 4.54 0.00 
  peak 1143
assign (resid 885 and name   HA ) (resid 909 and name  HZ3 ) 4.20 4.20 0.00 
  peak 157
assign (resid 874 and name   HN ) (resid 874 and name  HB1 ) 4.17 4.17 0.00 
  peak 1154
assign (resid 885 and name   HN ) (resid 909 and name  HZ3 ) 4.48 4.48 0.00 
  peak 158
assign (resid 903 and name  HB2 ) (resid 904 and name  HD1 ) 3.85 3.85 0.00 
  peak 1916
assign (resid 858 and name HG2+ ) (resid 866 and name HE21 ) 4.34 4.34 0.00 
  peak 1444
assign (resid 868 and name   HN ) (resid 868 and name  HB1 ) 3.66 3.66 0.00 
  peak 1155
assign (resid 909 and name  HZ3 ) (resid 911 and name   HN ) 4.61 4.61 0.00 
  peak 159
assign (resid 875 and name  HG2 ) (resid 876 and name  HD2 ) 4.67 4.67 0.00 
  peak 1917
assign (resid 882 and name  HB2 ) (resid 891 and name  HZ3 ) 4.51 4.51 0.00 
  peak 1448
assign (resid 910 and name   HN ) (resid 911 and name   HN ) 4.69 4.69 0.00 
  peak 160
assign (resid 893 and name  HB1 ) (resid 895 and name  HG1 ) 4.02 4.02 0.00 
  peak 1920
assign (resid 897 and name HG1+ ) (resid 909 and name  HZ3 ) 4.52 4.52 0.00 
  peak 1449
assign (resid 906 and name   HA ) (resid 906 and name  HG2 ) 3.98 3.98 0.00 
  peak 1923
assign (resid 897 and name HG2+ ) (resid 909 and name  HZ3 ) 5.11 5.11 0.00 
  peak 1449
assign (resid 905 and name   HA ) (resid 905 and name  HG2 ) 4.18 4.18 0.00 
  peak 1925
assign (resid 894 and name  HD1 ) (resid 897 and name HG2+ ) 4.46 4.46 0.00 
  peak 1452
assign (resid 903 and name  HB1 ) (resid 904 and name  HD1 ) 3.85 3.85 0.00 
  peak 1927
assign (resid 897 and name HG1+ ) (resid 909 and name  HH2 ) 3.48 3.48 0.00 
  peak 1454
assign (resid 910 and name  HE+ ) (resid 918 and name HD1+ ) 5.50 5.50 0.00 
  peak 2037
assign (resid 911 and name  HB1 ) (resid 912 and name  HD+ ) 3.90 3.90 0.00 
  peak 1929
assign (resid 858 and name HG1+ ) (resid 868 and name  HE1 ) 4.95 4.95 0.00 
  peak 1456
assign (resid 897 and name   HB ) (resid 912 and name  HD+ ) 3.34 3.34 0.00 
  peak 1933
assign (resid 863 and name   HA ) (resid 863 and name  HD1 ) 4.90 4.90 0.00 
  peak 2039
assign (resid 902 and name   HA ) (resid 903 and name  HD2 ) 3.19 3.19 0.00 
  peak 1936
assign (resid 883 and name HG2+ ) (resid 909 and name  HB1 ) 5.18 5.18 0.00 
  peak 2041
assign (resid 894 and name  HB1 ) (resid 895 and name  HD1 ) 3.87 3.87 0.00 
  peak 1940
assign (resid 894 and name  HB1 ) (resid 899 and name HG11 ) 5.50 5.50 0.00 
  peak 2044
assign (resid 899 and name HG11 ) (resid 903 and name  HD1 ) 5.50 5.50 0.00 
  peak 2044
assign (resid 898 and name   HN ) (resid 899 and name   HA ) 4.82 4.82 0.00 
  peak 2055
assign (resid 884 and name  HA2 ) (resid 891 and name  HE1 ) 5.35 5.35 0.00 
  peak 2057
assign (resid 875 and name  HG2 ) (resid 875 and name  HE+ ) 3.40 3.40 0.00 
  peak 2061
assign (resid 902 and name  HB+ ) (resid 903 and name  HD2 ) 3.49 3.49 0.00 
  peak 2063
assign (resid 894 and name  HZ2 ) (resid 899 and name HG2+ ) 5.01 5.01 0.00 
  peak 21
assign (resid 883 and name HD1+ ) (resid 903 and name  HG1 ) 3.68 3.68 0.00 
  peak 24
assign (resid 913 and name  HG2 ) (resid 913 and name  HE+ ) 4.09 4.09 0.00 
  peak 29
assign (resid 910 and name  HB1 ) (resid 911 and name   HN ) 3.63 3.63 0.00 
  peak 31
assign (resid 868 and name   HN ) (resid 869 and name HD1+ ) 4.94 4.94 0.00 
  peak 1160
assign (resid 860 and name  HB+ ) (resid 864 and name  HA1 ) 4.55 4.55 0.00 
  peak 33
assign (resid 909 and name   HN ) (resid 909 and name  HB2 ) 3.95 3.95 0.00 
  peak 1175
assign (resid 886 and name   HN ) (resid 909 and name  HE3 ) 4.19 4.19 0.00 
  peak 163
assign (resid 875 and name  HB2 ) (resid 875 and name  HD+ ) 3.83 3.83 0.00 
  peak 36
assign (resid 860 and name  HB+ ) (resid 865 and name   HN ) 4.48 4.48 0.00 
  peak 1183
assign (resid 909 and name  HE3 ) (resid 910 and name   HA ) 4.99 4.99 0.00 
  peak 164
assign (resid   7 and name   HA ) (resid   8 and name   HN ) 3.44 3.44 0.00 
  peak 39
assign (resid 900 and name   HN ) (resid 901 and name  HB+ ) 4.48 4.48 0.00 
  peak 1191
assign (resid 909 and name  HZ3 ) (resid 910 and name   HA ) 4.85 4.85 0.00 
  peak 165
assign (resid 877 and name  HB2 ) (resid 879 and name   HN ) 4.71 4.71 0.00 
  peak 1201
assign (resid 884 and name  HA2 ) (resid 909 and name  HZ3 ) 4.97 4.97 0.00 
  peak 166
assign (resid   4 and name  HG2 ) (resid 891 and name  HZ3 ) 4.43 4.43 0.00 
  peak 48
assign (resid 869 and name   HN ) (resid 869 and name HD1+ ) 3.82 3.82 0.00 
  peak 1204
assign (resid 909 and name  HZ3 ) (resid 911 and name   HA ) 4.92 4.92 0.00 
  peak 166
assign (resid 858 and name HG2+ ) (resid 868 and name  HE1 ) 4.95 4.95 0.00 
  peak 1457
assign (resid 859 and name   HN ) (resid 859 and name HG2+ ) 3.66 3.66 0.00 
  peak 1210
assign (resid 885 and name  HB1 ) (resid 909 and name  HZ3 ) 4.67 4.67 0.00 
  peak 167
assign (resid 882 and name  HE+ ) (resid 893 and name  HE2 ) 4.15 4.15 0.00 
  peak 1458
assign (resid 882 and name   HN ) (resid 882 and name  HB2 ) 3.29 3.29 0.00 
  peak 1215
assign (resid 909 and name  HZ3 ) (resid 911 and name  HB1 ) 4.37 4.37 0.00 
  peak 169
assign (resid 897 and name HG2+ ) (resid 909 and name  HE1 ) 4.11 4.11 0.00 
  peak 1461
assign (resid 881 and name  HB1 ) (resid 882 and name   HN ) 4.22 4.22 0.00 
  peak 1223
assign (resid 885 and name  HB2 ) (resid 909 and name  HZ3 ) 4.10 4.10 0.00 
  peak 170
assign (resid 880 and name  HB1 ) (resid 881 and name  HD1 ) 4.21 4.21 0.00 
  peak 1943
assign (resid   1 and name  HT+ ) (resid   2 and name  HB2 ) 4.63 4.63 0.00 
  peak 1463
assign (resid 875 and name   HN ) (resid 875 and name  HB1 ) 3.94 3.94 0.00 
  peak 1229
assign (resid 883 and name HG12 ) (resid 909 and name  HE3 ) 4.18 4.18 0.00 
  peak 172
assign (resid 861 and name  HB2 ) (resid 867 and name HD1+ ) 4.23 4.23 0.00 
  peak 1959
assign (resid 883 and name HD1+ ) (resid 909 and name  HE3 ) 4.30 4.30 0.00 
  peak 174
assign (resid 867 and name HG2+ ) (resid 876 and name  HB2 ) 3.73 3.73 0.00 
  peak 1961
assign (resid 870 and name  HB2 ) (resid 893 and name  HE2 ) 5.13 5.13 0.00 
  peak 1465
assign (resid 869 and name HD1+ ) (resid 876 and name  HB2 ) 3.99 3.99 0.00 
  peak 1962
assign (resid 882 and name  HG2 ) (resid 893 and name  HE2 ) 5.50 5.50 0.00 
  peak 1465
assign (resid 869 and name HD1+ ) (resid 876 and name  HG+ ) 3.46 3.46 0.00 
  peak 1963
assign (resid 883 and name   HN ) (resid 897 and name HG2+ ) 4.78 4.78 0.00 
  peak 1466
assign (resid 910 and name  HB2 ) (resid 915 and name  HB+ ) 3.47 3.47 0.00 
  peak 1964
assign (resid 894 and name  HE1 ) (resid 899 and name HG2+ ) 4.86 4.86 0.00 
  peak 1467
assign (resid 886 and name  HB2 ) (resid 908 and name  HB1 ) 4.44 4.44 0.00 
  peak 2067
assign (resid 899 and name   HB ) (resid 899 and name HD1+ ) 3.55 3.55 0.00 
  peak 1967
assign (resid 884 and name  HA1 ) (resid 891 and name   HA ) 4.22 4.22 0.00 
  peak 1478
assign (resid 913 and name   HA ) (resid 916 and name  HB2 ) 4.77 4.77 0.00 
  peak 2080
assign (resid 869 and name HG2+ ) (resid 869 and name HG12 ) 3.63 3.63 0.00 
  peak 1972
assign (resid 913 and name   HA ) (resid 916 and name  HB1 ) 4.77 4.77 0.00 
  peak 2081
assign (resid 897 and name HG2+ ) (resid 899 and name HG2+ ) 3.94 3.94 0.00 
  peak 1974
assign (resid 909 and name  HB1 ) (resid 909 and name  HZ3 ) 5.39 5.39 0.00 
  peak 2084
assign (resid 883 and name HG2+ ) (resid 899 and name HD1+ ) 3.57 3.57 0.00 
  peak 1978
assign (resid 909 and name  HZ3 ) (resid 911 and name  HB2 ) 5.50 5.50 0.00 
  peak 2084
assign (resid 885 and name  HB2 ) (resid 909 and name  HE3 ) 4.76 4.76 0.00 
  peak 2086
assign (resid 888 and name  HB1 ) (resid 889 and name   HN ) 4.40 4.40 0.00 
  peak 2090
assign (resid 889 and name   HN ) (resid 889 and name  HB2 ) 4.07 4.07 0.00 
  peak 2092
assign (resid 861 and name  HB1 ) (resid 864 and name   HN ) 5.01 5.01 0.00 
  peak 2093
assign (resid 888 and name   HN ) (resid 914 and name  HB1 ) 4.26 4.26 0.00 
  peak 2095
assign (resid 909 and name  HB2 ) (resid 910 and name   HN ) 4.08 4.08 0.00 
  peak 179
assign (resid 894 and name  HZ3 ) (resid 901 and name   HA ) 3.51 3.51 0.00 
  peak 181
assign (resid 909 and name   HA ) (resid 910 and name  HD+ ) 3.94 3.94 0.00 
  peak 181
assign (resid 881 and name  HB2 ) (resid 894 and name  HZ3 ) 4.89 4.89 0.00 
  peak 182
assign (resid 863 and name   HA ) (resid 863 and name  HE3 ) 5.00 5.00 0.00 
  peak 184
assign (resid 885 and name  HB2 ) (resid 910 and name   HA ) 4.41 4.41 0.00 
  peak 1480
assign (resid 868 and name   HN ) (resid 868 and name  HE3 ) 3.40 3.40 0.00 
  peak 185
assign (resid 870 and name   HA ) (resid 871 and name  HD2 ) 3.63 3.63 0.00 
  peak 1484
assign (resid 871 and name   HA ) (resid 873 and name   HN ) 4.71 4.71 0.00 
  peak 266
assign (resid 867 and name   HA ) (resid 868 and name  HE3 ) 3.69 3.69 0.00 
  peak 186
assign (resid 870 and name   HA ) (resid 882 and name  HE+ ) 4.41 4.41 0.00 
  peak 1485
assign (resid 913 and name   HA ) (resid 916 and name   HN ) 4.46 4.46 0.00 
  peak 267
assign (resid   4 and name HM++ ) (resid 868 and name  HE3 ) 3.70 3.70 0.00 
  peak 187
assign (resid 883 and name HD1+ ) (resid 899 and name HD1+ ) 3.26 3.26 0.00 
  peak 1979
assign (resid 883 and name   HA ) (resid 883 and name HG11 ) 3.70 3.70 0.00 
  peak 1488
assign (resid 912 and name   HA ) (resid 915 and name   HN ) 4.13 4.13 0.00 
  peak 269
assign (resid 882 and name   HA ) (resid 882 and name  HG2 ) 3.98 3.98 0.00 
  peak 190
assign (resid 883 and name HG2+ ) (resid 883 and name HD1+ ) 3.14 3.14 0.00 
  peak 1981
assign (resid   3 and name HG2+ ) (resid 883 and name   HA ) 3.66 3.66 0.00 
  peak 1489
assign (resid 917 and name   HA ) (resid 918 and name   HN ) 3.45 3.45 0.00 
  peak 271
assign (resid 870 and name  HB2 ) (resid 892 and name   HA ) 4.38 4.38 0.00 
  peak 190
assign (resid 883 and name HD1+ ) (resid 899 and name HG12 ) 4.77 4.77 0.00 
  peak 1982
assign (resid 883 and name   HA ) (resid 884 and name  HA1 ) 4.59 4.59 0.00 
  peak 1491
assign (resid 912 and name   HA ) (resid 916 and name   HN ) 4.46 4.46 0.00 
  peak 273
assign (resid 858 and name HG2+ ) (resid 868 and name  HD1 ) 4.96 4.96 0.00 
  peak 1991
assign (resid 860 and name   HA ) (resid 860 and name  HG2 ) 3.86 3.86 0.00 
  peak 1492
assign (resid 899 and name   HA ) (resid 901 and name   HN ) 3.96 3.96 0.00 
  peak 274
assign (resid 883 and name HG12 ) (resid 894 and name  HE1 ) 5.50 5.50 0.00 
  peak 1993
assign (resid 860 and name   HA ) (resid 860 and name  HG1 ) 3.86 3.86 0.00 
  peak 1493
assign (resid 899 and name   HA ) (resid 900 and name   HN ) 3.18 3.18 0.00 
  peak 275
assign (resid 866 and name  HB2 ) (resid 866 and name HE22 ) 4.93 4.93 0.00 
  peak 1994
assign (resid 869 and name HG11 ) (resid 876 and name   HA ) 4.87 4.87 0.00 
  peak 1501
assign (resid 869 and name   HA ) (resid 870 and name   HN ) 3.21 3.21 0.00 
  peak 277
assign (resid 889 and name  HB2 ) (resid 890 and name   HN ) 4.79 4.79 0.00 
  peak 2100
assign (resid 905 and name  HG1 ) (resid 906 and name   HN ) 5.01 5.01 0.00 
  peak 1995
assign (resid 882 and name  HG1 ) (resid 893 and name   HA ) 4.41 4.41 0.00 
  peak 1507
assign (resid 880 and name   HN ) (resid 880 and name  HB1 ) 3.90 3.90 0.00 
  peak 278
assign (resid 870 and name   HA ) (resid 871 and name  HG1 ) 4.47 4.47 0.00 
  peak 2111
assign (resid 914 and name  HB2 ) (resid 915 and name   HN ) 3.90 3.90 0.00 
  peak 1996
assign (resid 894 and name   HN ) (resid 895 and name  HD1 ) 3.96 3.96 0.00 
  peak 279
assign (resid 866 and name   HA ) (resid 866 and name  HG1 ) 3.90 3.90 0.00 
  peak 2114
assign (resid 882 and name   HN ) (resid 883 and name   HN ) 4.92 4.92 0.00 
  peak 1999
assign (resid 908 and name   HA ) (resid 908 and name  HG2 ) 3.72 3.72 0.00 
  peak 2118
assign (resid   8 and name  HB1 ) (resid   8 and name  HD+ ) 3.83 3.83 0.00 
  peak 2126
assign (resid   8 and name  HB2 ) (resid   8 and name  HD+ ) 3.83 3.83 0.00 
  peak 2127
assign (resid 870 and name  HB1 ) (resid 874 and name   HN ) 4.80 4.80 0.00 
  peak 2134
assign (resid 892 and name  HE+ ) (resid 913 and name  HE+ ) 5.15 5.15 0.00 
  peak 2135
assign (resid   3 and name   HA ) (resid 891 and name  HH2 ) 4.75 4.75 0.00 
  peak 2138
assign (resid   3 and name   HA ) (resid 891 and name  HZ3 ) 3.81 3.81 0.00 
  peak 2139
assign (resid 909 and name   HA ) (resid 909 and name  HD1 ) 3.72 3.72 0.00 
  peak 194
assign (resid 886 and name  HB1 ) (resid 910 and name   HZ ) 4.07 4.07 0.00 
  peak 195
assign (resid 861 and name   HA ) (resid 862 and name   HN ) 3.21 3.21 0.00 
  peak 196
assign (resid 916 and name   HA ) (resid 919 and name   HN ) 4.59 4.59 0.00 
  peak 197
assign (resid 861 and name   HA ) (resid 863 and name   HN ) 4.52 4.52 0.00 
  peak 198
assign (resid 875 and name   HA ) (resid 875 and name  HG1 ) 4.13 4.13 0.00 
  peak 1512
assign (resid 916 and name   HA ) (resid 918 and name   HN ) 4.52 4.52 0.00 
  peak 199
assign (resid 875 and name   HA ) (resid 875 and name  HG2 ) 4.13 4.13 0.00 
  peak 1513
assign (resid 894 and name  HE3 ) (resid 895 and name  HD1 ) 4.58 4.58 0.00 
  peak 280
assign (resid 877 and name   HA ) (resid 878 and name   HN ) 3.11 3.11 0.00 
  peak 205
assign (resid 869 and name HG2+ ) (resid 870 and name   HA ) 4.72 4.72 0.00 
  peak 1516
assign (resid 875 and name   HN ) (resid 876 and name  HD1 ) 5.17 5.17 0.00 
  peak 296
assign (resid 877 and name   HA ) (resid 879 and name   HN ) 3.98 3.98 0.00 
  peak 206
assign (resid 883 and name   HA ) (resid 894 and name  HE1 ) 4.42 4.42 0.00 
  peak 2005
assign (resid 883 and name   HA ) (resid 883 and name HG2+ ) 4.15 4.15 0.00 
  peak 1517
assign (resid 894 and name  HB2 ) (resid 894 and name  HE3 ) 3.71 3.71 0.00 
  peak 298
assign (resid 866 and name   HA ) (resid 867 and name   HN ) 2.95 2.95 0.00 
  peak 208
assign (resid 883 and name   HA ) (resid 891 and name  HE3 ) 4.50 4.50 0.00 
  peak 2006
assign (resid 883 and name   HA ) (resid 883 and name HG12 ) 4.18 4.18 0.00 
  peak 1519
assign (resid 887 and name   HN ) (resid 887 and name  HB1 ) 3.85 3.85 0.00 
  peak 299
assign (resid 885 and name   HA ) (resid 911 and name   HN ) 4.24 4.24 0.00 
  peak 210
assign (resid   3 and name   HB ) (resid 894 and name  HZ2 ) 3.80 3.80 0.00 
  peak 2007
assign (resid 869 and name HD1+ ) (resid 876 and name   HA ) 3.36 3.36 0.00 
  peak 1520
assign (resid 914 and name   HN ) (resid 915 and name   HA ) 5.18 5.18 0.00 
  peak 300
assign (resid 894 and name  HZ3 ) (resid 900 and name   HA ) 4.75 4.75 0.00 
  peak 2008
assign (resid 899 and name HG2+ ) (resid 903 and name  HD2 ) 4.52 4.52 0.00 
  peak 1531
assign (resid 887 and name  HB1 ) (resid 888 and name   HN ) 3.29 3.29 0.00 
  peak 301
assign (resid 892 and name  HB2 ) (resid 909 and name  HZ3 ) 4.96 4.96 0.00 
  peak 2011
assign (resid 858 and name   HA ) (resid 858 and name HG1+ ) 3.54 3.54 0.00 
  peak 1534
assign (resid 887 and name  HB1 ) (resid 910 and name  HD+ ) 3.80 3.80 0.00 
  peak 303
assign (resid 870 and name   HN ) (resid 870 and name  HB2 ) 3.31 3.31 0.00 
  peak 2014
assign (resid 858 and name   HA ) (resid 858 and name HG2+ ) 3.54 3.54 0.00 
  peak 1535
assign (resid 878 and name   HN ) (resid 879 and name  HA1 ) 5.31 5.31 0.00 
  peak 304
assign (resid 863 and name  HB1 ) (resid 863 and name  HE3 ) 3.78 3.78 0.00 
  peak 2149
assign (resid 882 and name  HE+ ) (resid 891 and name  HZ3 ) 5.50 5.50 0.00 
  peak 2015
assign (resid 871 and name  HG1 ) (resid 890 and name  HB1 ) 5.50 5.50 0.00 
  peak 1551
assign (resid 887 and name  HB1 ) (resid 910 and name  HE+ ) 4.28 4.28 0.00 
  peak 309
assign (resid 868 and name   HN ) (resid 868 and name  HB2 ) 3.51 3.51 0.00 
  peak 2159
assign (resid 858 and name HG1+ ) (resid 867 and name   HN ) 5.50 5.50 0.00 
  peak 2017
assign (resid 893 and name   HN ) (resid 893 and name  HB1 ) 4.12 4.12 0.00 
  peak 310
assign (resid 868 and name  HB2 ) (resid 868 and name  HE3 ) 3.76 3.76 0.00 
  peak 2161
assign (resid   1 and name  HB+ ) (resid 907 and name   HN ) 5.07 5.07 0.00 
  peak 2020
assign (resid 868 and name  HB1 ) (resid 868 and name  HD1 ) 3.71 3.71 0.00 
  peak 2163
assign (resid 899 and name   HB ) (resid 909 and name  HZ2 ) 5.38 5.38 0.00 
  peak 2021
assign (resid 874 and name   HN ) (resid 874 and name  HB2 ) 4.17 4.17 0.00 
  peak 2172
assign (resid 882 and name  HB1 ) (resid 882 and name  HE+ ) 3.62 3.62 0.00 
  peak 2178
assign (resid 883 and name   HA ) (resid 884 and name   HN ) 3.43 3.43 0.00 
  peak 2180
assign (resid   1 and name  HB+ ) (resid 883 and name HD1+ ) 3.21 3.21 0.00 
  peak 2182
assign (resid 883 and name   HN ) (resid 883 and name HG2+ ) 3.37 3.37 0.00 
  peak 2184
assign (resid 882 and name  HE+ ) (resid 891 and name  HB1 ) 3.52 3.52 0.00 
  peak 2189
assign (resid 885 and name   HA ) (resid 886 and name   HN ) 3.25 3.25 0.00 
  peak 211
assign (resid 885 and name   HA ) (resid 887 and name   HN ) 4.65 4.65 0.00 
  peak 212
assign (resid 895 and name   HA ) (resid 899 and name   HN ) 4.28 4.28 0.00 
  peak 214
assign (resid 895 and name   HA ) (resid 897 and name   HN ) 4.54 4.54 0.00 
  peak 215
assign (resid 895 and name   HA ) (resid 898 and name   HN ) 3.77 3.77 0.00 
  peak 216
assign (resid 871 and name  HG1 ) (resid 890 and name  HB2 ) 5.50 5.50 0.00 
  peak 1552
assign (resid 857 and name   HA ) (resid 857 and name  HD+ ) 3.44 3.44 0.00 
  peak 218
assign (resid 894 and name  HB1 ) (resid 897 and name HG2+ ) 4.83 4.83 0.00 
  peak 1564
assign (resid 884 and name  HA2 ) (resid 892 and name   HN ) 4.26 4.26 0.00 
  peak 315
assign (resid 857 and name   HA ) (resid 857 and name  HE+ ) 4.59 4.59 0.00 
  peak 219
assign (resid 883 and name HG12 ) (resid 909 and name  HB1 ) 4.64 4.64 0.00 
  peak 1577
assign (resid 896 and name  HB2 ) (resid 897 and name   HN ) 4.38 4.38 0.00 
  peak 319
assign (resid 881 and name   HA ) (resid 882 and name   HN ) 2.94 2.94 0.00 
  peak 220
assign (resid   1 and name   HA ) (resid 883 and name HG12 ) 5.48 5.48 0.00 
  peak 1578
assign (resid 893 and name   HN ) (resid 896 and name  HB2 ) 4.19 4.19 0.00 
  peak 320
assign (resid 867 and name   HA ) (resid 868 and name   HN ) 2.99 2.99 0.00 
  peak 221
assign (resid 894 and name  HB1 ) (resid 899 and name HG2+ ) 4.20 4.20 0.00 
  peak 1582
assign (resid 870 and name   HN ) (resid 870 and name  HB1 ) 3.35 3.35 0.00 
  peak 326
assign (resid 907 and name   HA ) (resid 908 and name   HN ) 2.82 2.82 0.00 
  peak 224
assign (resid 899 and name HG2+ ) (resid 903 and name  HD1 ) 4.45 4.45 0.00 
  peak 1582
assign (resid 870 and name  HB1 ) (resid 893 and name  HE1 ) 3.69 3.69 0.00 
  peak 327
assign (resid 910 and name  HB2 ) (resid 915 and name   HA ) 4.43 4.43 0.00 
  peak 1591
assign (resid 863 and name  HB1 ) (resid 865 and name   HN ) 5.16 5.16 0.00 
  peak 328
assign (resid 914 and name   HA ) (resid 917 and name  HB2 ) 5.50 5.50 0.00 
  peak 1617
assign (resid 885 and name  HB1 ) (resid 911 and name   HN ) 4.58 4.58 0.00 
  peak 329
assign (resid 917 and name  HB2 ) (resid 918 and name   HA ) 5.50 5.50 0.00 
  peak 1617
assign (resid 885 and name   HN ) (resid 885 and name  HB1 ) 3.87 3.87 0.00 
  peak 330
assign (resid 893 and name   HN ) (resid 893 and name  HB2 ) 3.60 3.60 0.00 
  peak 2206
assign (resid 920 and name  HB1 ) (resid 920 and name  HE+ ) 4.94 4.94 0.00 
  peak 1619
assign (resid 885 and name  HB1 ) (resid 888 and name   HN ) 4.21 4.21 0.00 
  peak 332
assign (resid 909 and name  HB2 ) (resid 909 and name  HE3 ) 4.16 4.16 0.00 
  peak 2218
assign (resid 885 and name  HB1 ) (resid 889 and name   HN ) 3.92 3.92 0.00 
  peak 333
assign (resid 910 and name   HN ) (resid 910 and name  HB1 ) 3.92 3.92 0.00 
  peak 2228
assign (resid 919 and name   HN ) (resid 919 and name  HB2 ) 3.84 3.84 0.00 
  peak 2236
assign (resid 894 and name  HB1 ) (resid 895 and name  HD2 ) 3.97 3.97 0.00 
  peak 2238
assign (resid   1 and name  HB+ ) (resid 883 and name HG2+ ) 4.77 4.77 0.00 
  peak 2239
assign (resid 897 and name   HB ) (resid 909 and name  HH2 ) 4.93 4.93 0.00 
  peak 2330
assign (resid   1 and name  HB+ ) (resid 899 and name HD1+ ) 4.36 4.36 0.00 
  peak 2241
assign (resid 897 and name HG1+ ) (resid 912 and name  HG2 ) 3.94 3.94 0.00 
  peak 2331
assign (resid 858 and name HG2+ ) (resid 866 and name  HB1 ) 4.48 4.48 0.00 
  peak 2243
assign (resid 897 and name HG1+ ) (resid 912 and name  HG1 ) 3.95 3.95 0.00 
  peak 2332
assign (resid 869 and name HG2+ ) (resid 874 and name  HB2 ) 5.13 5.13 0.00 
  peak 2254
assign (resid 870 and name  HB1 ) (resid 892 and name   HA ) 4.93 4.93 0.00 
  peak 2333
assign (resid 897 and name HG1+ ) (resid 911 and name  HB1 ) 4.58 4.58 0.00 
  peak 2256
assign (resid 869 and name HG12 ) (resid 876 and name   HA ) 4.87 4.87 0.00 
  peak 2337
assign (resid 867 and name HG2+ ) (resid 876 and name  HB1 ) 3.73 3.73 0.00 
  peak 2338
assign (resid 861 and name   HA ) (resid 867 and name HD1+ ) 4.72 4.72 0.00 
  peak 2341
assign (resid 867 and name   HA ) (resid 867 and name HD1+ ) 3.98 3.98 0.00 
  peak 2342
assign (resid 857 and name  HB2 ) (resid 869 and name   HB ) 4.77 4.77 0.00 
  peak 2344
assign (resid 882 and name  HB2 ) (resid 891 and name  HB1 ) 5.11 5.11 0.00 
  peak 2344
assign (resid 855 and name   HA ) (resid 856 and name   HN ) 3.01 3.01 0.00 
  peak 226
assign (resid 894 and name   HA ) (resid 894 and name  HE1 ) 4.66 4.66 0.00 
  peak 228
assign (resid 894 and name   HA ) (resid 899 and name   HN ) 4.19 4.19 0.00 
  peak 229
assign (resid 894 and name   HA ) (resid 897 and name   HN ) 4.06 4.06 0.00 
  peak 230
assign (resid 873 and name   HN ) (resid 874 and name   HA ) 4.21 4.21 0.00 
  peak 232
assign (resid 858 and name   HA ) (resid 867 and name   HB ) 5.10 5.10 0.00 
  peak 1633
assign (resid 908 and name  HB1 ) (resid 909 and name   HA ) 5.46 5.46 0.00 
  peak 1633
assign (resid 894 and name  HZ2 ) (resid 902 and name   HA ) 4.32 4.32 0.00 
  peak 334
assign (resid 904 and name   HA ) (resid 905 and name   HN ) 2.84 2.84 0.00 
  peak 234
assign (resid 902 and name   HA ) (resid 903 and name  HG2 ) 4.59 4.59 0.00 
  peak 1637
assign (resid 885 and name  HB1 ) (resid 910 and name  HD+ ) 5.50 5.50 0.00 
  peak 335
assign (resid 908 and name   HA ) (resid 909 and name   HN ) 3.20 3.20 0.00 
  peak 234
assign (resid 902 and name   HA ) (resid 903 and name  HG1 ) 4.47 4.47 0.00 
  peak 1643
assign (resid 894 and name  HZ3 ) (resid 902 and name   HA ) 5.50 5.50 0.00 
  peak 335
assign (resid 878 and name   HN ) (resid 879 and name  HA2 ) 5.31 5.31 0.00 
  peak 235
assign (resid 917 and name  HG2 ) (resid 917 and name  HE+ ) 3.80 3.80 0.00 
  peak 1646
assign (resid   2 and name  HD+ ) (resid 891 and name  HH2 ) 4.63 4.63 0.00 
  peak 338
assign (resid 909 and name   HA ) (resid 910 and name  HE+ ) 4.61 4.61 0.00 
  peak 240
assign (resid 870 and name  HB1 ) (resid 882 and name  HE+ ) 4.39 4.39 0.00 
  peak 1649
assign (resid 911 and name   HN ) (resid 912 and name  HD+ ) 4.66 4.66 0.00 
  peak 339
assign (resid 917 and name  HG1 ) (resid 917 and name  HE+ ) 3.52 3.52 0.00 
  peak 1658
assign (resid 861 and name  HB1 ) (resid 862 and name   HN ) 3.69 3.69 0.00 
  peak 341
assign (resid 887 and name  HB1 ) (resid 910 and name  HB1 ) 4.36 4.36 0.00 
  peak 1668
assign (resid 912 and name  HD+ ) (resid 913 and name   HN ) 4.05 4.05 0.00 
  peak 343
assign (resid 899 and name HG2+ ) (resid 899 and name HG12 ) 3.66 3.66 0.00 
  peak 1678
assign (resid 888 and name   HN ) (resid 888 and name  HB2 ) 3.97 3.97 0.00 
  peak 345
assign (resid 896 and name  HB1 ) (resid 897 and name HG1+ ) 3.77 3.77 0.00 
  peak 2259
assign (resid   3 and name HG2+ ) (resid 899 and name HG2+ ) 4.13 4.13 0.00 
  peak 1681
assign (resid 893 and name   HN ) (resid 896 and name  HB1 ) 4.64 4.64 0.00 
  peak 347
assign (resid 897 and name HG1+ ) (resid 911 and name  HB2 ) 4.31 4.31 0.00 
  peak 2261
assign (resid 896 and name   HN ) (resid 896 and name  HB1 ) 3.74 3.74 0.00 
  peak 348
assign (resid 892 and name  HB1 ) (resid 909 and name  HH2 ) 5.25 5.25 0.00 
  peak 2263
assign (resid 886 and name  HB2 ) (resid 910 and name  HD+ ) 4.31 4.31 0.00 
  peak 2265
assign (resid 887 and name  HB1 ) (resid 914 and name  HB2 ) 4.06 4.06 0.00 
  peak 2268
assign (resid 887 and name  HB1 ) (resid 914 and name  HB1 ) 4.23 4.23 0.00 
  peak 2269
assign (resid 857 and name  HB1 ) (resid 869 and name   HN ) 4.09 4.09 0.00 
  peak 2345
assign (resid 886 and name   HN ) (resid 910 and name   HA ) 4.12 4.12 0.00 
  peak 2270
assign (resid 857 and name  HD+ ) (resid 869 and name   HN ) 4.77 4.77 0.00 
  peak 2347
assign (resid 886 and name   HN ) (resid 910 and name  HB2 ) 5.50 5.50 0.00 
  peak 2271
assign (resid 857 and name  HE+ ) (resid 874 and name   HA ) 5.43 5.43 0.00 
  peak 2349
assign (resid 886 and name   HN ) (resid 910 and name  HD+ ) 4.40 4.40 0.00 
  peak 2272
assign (resid 888 and name   HN ) (resid 910 and name  HD+ ) 4.72 4.72 0.00 
  peak 2274
assign (resid 859 and name   HN ) (resid 869 and name HD1+ ) 4.53 4.53 0.00 
  peak 2352
assign (resid 910 and name  HB1 ) (resid 915 and name  HB+ ) 3.78 3.78 0.00 
  peak 2353
assign (resid 914 and name  HB1 ) (resid 915 and name  HB+ ) 4.59 4.59 0.00 
  peak 2355
assign (resid 869 and name   HN ) (resid 869 and name HG12 ) 4.37 4.37 0.00 
  peak 2361
assign (resid 866 and name  HB2 ) (resid 868 and name  HH2 ) 4.16 4.16 0.00 
  peak 2362
assign (resid 858 and name   HA ) (resid 859 and name   HN ) 2.86 2.86 0.00 
  peak 241
assign (resid 859 and name   HA ) (resid 860 and name   HN ) 2.96 2.96 0.00 
  peak 242
assign (resid 856 and name   HA ) (resid 857 and name   HN ) 3.08 3.08 0.00 
  peak 247
assign (resid 896 and name   HA ) (resid 898 and name   HN ) 4.80 4.80 0.00 
  peak 248
assign (resid 856 and name   HA ) (resid 857 and name  HD+ ) 4.56 4.56 0.00 
  peak 249
assign (resid 899 and name HG2+ ) (resid 901 and name  HB+ ) 4.72 4.72 0.00 
  peak 1681
assign (resid 920 and name   HA ) (resid 921 and name   HN ) 3.46 3.46 0.00 
  peak 255
assign (resid 883 and name HG2+ ) (resid 892 and name  HB2 ) 4.04 4.04 0.00 
  peak 1684
assign (resid 894 and name   HN ) (resid 894 and name  HB1 ) 3.88 3.88 0.00 
  peak 350
assign (resid 918 and name   HN ) (resid 919 and name   HA ) 5.50 5.50 0.00 
  peak 259
assign (resid 883 and name HG2+ ) (resid 897 and name HG2+ ) 3.15 3.15 0.00 
  peak 1688
assign (resid 863 and name  HB2 ) (resid 864 and name   HN ) 4.36 4.36 0.00 
  peak 351
assign (resid 871 and name   HA ) (resid 874 and name   HN ) 4.14 4.14 0.00 
  peak 261
assign (resid 883 and name HD1+ ) (resid 909 and name  HB1 ) 3.78 3.78 0.00 
  peak 1689
assign (resid 863 and name  HB2 ) (resid 865 and name   HN ) 3.92 3.92 0.00 
  peak 352
assign (resid 857 and name  HD+ ) (resid 871 and name   HA ) 5.03 5.03 0.00 
  peak 263
assign (resid 883 and name HD1+ ) (resid 903 and name  HD2 ) 4.18 4.18 0.00 
  peak 1690
assign (resid 863 and name  HB2 ) (resid 865 and name HD21 ) 4.26 4.26 0.00 
  peak 352
assign (resid 857 and name  HE+ ) (resid 871 and name   HA ) 3.81 3.81 0.00 
  peak 264
assign (resid 883 and name HD1+ ) (resid 909 and name  HB2 ) 3.91 3.91 0.00 
  peak 1691
assign (resid 863 and name   HN ) (resid 863 and name  HB2 ) 3.41 3.41 0.00 
  peak 353
assign (resid   3 and name HG2+ ) (resid 883 and name HD1+ ) 3.36 3.36 0.00 
  peak 1694
assign (resid 863 and name  HB2 ) (resid 863 and name  HD1 ) 3.70 3.70 0.00 
  peak 354
assign (resid 883 and name   HB ) (resid 883 and name HD1+ ) 3.44 3.44 0.00 
  peak 1695
assign (resid 863 and name  HB2 ) (resid 865 and name HD22 ) 4.26 4.26 0.00 
  peak 354
assign (resid 883 and name HD1+ ) (resid 897 and name HG2+ ) 4.17 4.17 0.00 
  peak 1697
assign (resid 911 and name   HN ) (resid 911 and name  HB2 ) 3.95 3.95 0.00 
  peak 359
assign (resid 888 and name   HN ) (resid 910 and name  HE+ ) 5.50 5.50 0.00 
  peak 2275
assign (resid 899 and name HD1+ ) (resid 903 and name  HG2 ) 4.49 4.49 0.00 
  peak 1716
assign (resid 902 and name   HN ) (resid 903 and name  HD1 ) 5.33 5.33 0.00 
  peak 361
assign (resid 857 and name  HD+ ) (resid 870 and name   HN ) 5.50 5.50 0.00 
  peak 2276
assign (resid 863 and name  HD1 ) (resid 864 and name   HN ) 5.50 5.50 0.00 
  peak 2277
assign (resid 892 and name  HD+ ) (resid 897 and name HG1+ ) 4.04 4.04 0.00 
  peak 2278
assign (resid 883 and name HG2+ ) (resid 899 and name HG11 ) 3.99 3.99 0.00 
  peak 2283
assign (resid 883 and name HG12 ) (resid 899 and name HD1+ ) 4.71 4.71 0.00 
  peak 2284
assign (resid 866 and name  HB1 ) (resid 868 and name  HZ3 ) 4.04 4.04 0.00 
  peak 2363
assign (resid 884 and name  HA1 ) (resid 891 and name  HE3 ) 4.58 4.58 0.00 
  peak 2286
assign (resid 908 and name  HB1 ) (resid 910 and name  HD+ ) 4.56 4.56 0.00 
  peak 2364
assign (resid 894 and name  HD1 ) (resid 899 and name   HB ) 4.72 4.72 0.00 
  peak 2288
assign (resid 908 and name  HB1 ) (resid 908 and name HE22 ) 4.48 4.48 0.00 
  peak 2365
assign (resid   4 and name HM++ ) (resid 868 and name  HB2 ) 3.49 3.49 0.00 
  peak 2291
assign (resid 866 and name  HB1 ) (resid 868 and name  HE3 ) 4.64 4.64 0.00 
  peak 2368
assign (resid   4 and name HM++ ) (resid 891 and name  HB1 ) 3.51 3.51 0.00 
  peak 2292
assign (resid 885 and name  HB2 ) (resid 886 and name   HN ) 4.33 4.33 0.00 
  peak 2369
assign (resid 882 and name   HN ) (resid 882 and name  HG1 ) 4.02 4.02 0.00 
  peak 2371
assign (resid 894 and name  HB1 ) (resid 894 and name  HE3 ) 3.71 3.71 0.00 
  peak 2373
assign (resid 891 and name  HB1 ) (resid 891 and name  HE3 ) 3.53 3.53 0.00 
  peak 2376
assign (resid 913 and name   HN ) (resid 914 and name  HB2 ) 4.67 4.67 0.00 
  peak 2382
assign (resid 868 and name  HD1 ) (resid 869 and name   HN ) 4.86 4.86 0.00 
  peak 2388
assign (resid 890 and name  HB1 ) (resid 891 and name   HN ) 3.91 3.91 0.00 
  peak 366
assign (resid 890 and name   HN ) (resid 890 and name  HB1 ) 3.87 3.87 0.00 
  peak 367
assign (resid 917 and name   HA ) (resid 919 and name   HN ) 4.33 4.33 0.00 
  peak 328
assign (resid 865 and name   HN ) (resid 865 and name  HB2 ) 3.22 3.22 0.00 
  peak 369
assign (resid 886 and name  HB2 ) (resid 908 and name HE21 ) 4.44 4.44 0.00 
  peak 331
assign (resid 865 and name  HB2 ) (resid 865 and name HD21 ) 3.60 3.60 0.00 
  peak 369
assign (resid 899 and name   HN ) (resid 900 and name   HN ) 4.84 4.84 0.00 
  peak 333
assign (resid 865 and name  HB2 ) (resid 866 and name   HN ) 4.09 4.09 0.00 
  peak 370
assign (resid 886 and name  HB2 ) (resid 909 and name   HN ) 4.42 4.42 0.00 
  peak 337
assign (resid 914 and name   HN ) (resid 914 and name  HB2 ) 3.71 3.71 0.00 
  peak 371
assign (resid 909 and name  HZ3 ) (resid 910 and name   HN ) 5.50 5.50 0.00 
  peak 342
assign (resid 906 and name   HN ) (resid 906 and name  HG2 ) 3.94 3.94 0.00 
  peak 452
assign (resid 877 and name   HN ) (resid 877 and name  HB1 ) 3.66 3.66 0.00 
  peak 372
assign (resid 909 and name   HN ) (resid 910 and name   HN ) 4.51 4.51 0.00 
  peak 343
assign (resid 910 and name  HB2 ) (resid 911 and name   HN ) 4.40 4.40 0.00 
  peak 453
assign (resid 860 and name   HN ) (resid 860 and name  HD+ ) 4.53 4.53 0.00 
  peak 373
assign (resid 909 and name  HD1 ) (resid 910 and name   HN ) 4.03 4.03 0.00 
  peak 344
assign (resid   4 and name HM++ ) (resid 891 and name  HB2 ) 3.98 3.98 0.00 
  peak 2293
assign (resid 906 and name   HN ) (resid 906 and name  HG1 ) 3.94 3.94 0.00 
  peak 454
assign (resid 865 and name  HB2 ) (resid 865 and name HD22 ) 3.60 3.60 0.00 
  peak 375
assign (resid 909 and name   HA ) (resid 910 and name   HN ) 2.92 2.92 0.00 
  peak 345
assign (resid   4 and name HM++ ) (resid 877 and name  HB2 ) 3.86 3.86 0.00 
  peak 2294
assign (resid 910 and name  HB2 ) (resid 915 and name   HN ) 4.68 4.68 0.00 
  peak 455
assign (resid 911 and name   HN ) (resid 914 and name  HB2 ) 4.19 4.19 0.00 
  peak 376
assign (resid 909 and name  HB1 ) (resid 910 and name   HN ) 4.05 4.05 0.00 
  peak 346
assign (resid 857 and name  HB2 ) (resid 869 and name   HN ) 4.60 4.60 0.00 
  peak 2303
assign (resid 876 and name  HB2 ) (resid 877 and name   HN ) 3.79 3.79 0.00 
  peak 461
assign (resid 866 and name HE21 ) (resid 868 and name  HE1 ) 5.50 5.50 0.00 
  peak 348
assign (resid 868 and name  HB2 ) (resid 869 and name   HN ) 4.59 4.59 0.00 
  peak 2304
assign (resid 895 and name  HG1 ) (resid 896 and name   HN ) 4.51 4.51 0.00 
  peak 462
assign (resid   3 and name   HA ) (resid 883 and name   HB ) 4.96 4.96 0.00 
  peak 2305
assign (resid 900 and name  HB2 ) (resid 901 and name   HN ) 4.23 4.23 0.00 
  peak 463
assign (resid   3 and name HG2+ ) (resid 884 and name   HN ) 4.30 4.30 0.00 
  peak 2306
assign (resid 900 and name   HN ) (resid 900 and name  HB2 ) 4.05 4.05 0.00 
  peak 464
assign (resid 868 and name   HN ) (resid 868 and name  HZ3 ) 4.84 4.84 0.00 
  peak 2389
assign (resid   3 and name HG2+ ) (resid 903 and name  HD2 ) 3.67 3.67 0.00 
  peak 2309
assign (resid 906 and name   HN ) (resid 906 and name  HB1 ) 4.06 4.06 0.00 
  peak 467
assign (resid 909 and name  HE1 ) (resid 910 and name   HN ) 4.91 4.91 0.00 
  peak 2390
assign (resid   3 and name HG2+ ) (resid 903 and name  HD1 ) 3.75 3.75 0.00 
  peak 2310
assign (resid 907 and name  HB1 ) (resid 908 and name   HN ) 3.97 3.97 0.00 
  peak 468
assign (resid 859 and name   HN ) (resid 867 and name HD1+ ) 5.50 5.50 0.00 
  peak 2394
assign (resid   4 and name   HN ) (resid 883 and name   HA ) 4.62 4.62 0.00 
  peak 2311
assign (resid 866 and name   HN ) (resid 867 and name HD1+ ) 5.50 5.50 0.00 
  peak 2394
assign (resid   2 and name   HN ) (resid 891 and name  HH2 ) 5.50 5.50 0.00 
  peak 2312
assign (resid 892 and name  HB2 ) (resid 893 and name   HN ) 4.25 4.25 0.00 
  peak 2401
assign (resid 892 and name   HN ) (resid 892 and name  HB2 ) 3.64 3.64 0.00 
  peak 2402
assign (resid 857 and name  HB1 ) (resid 858 and name   HN ) 4.01 4.01 0.00 
  peak 2405
assign (resid 882 and name  HB2 ) (resid 883 and name   HA ) 4.91 4.91 0.00 
  peak 2407
assign (resid 910 and name   HA ) (resid 914 and name  HB2 ) 4.62 4.62 0.00 
  peak 2410
assign (resid 880 and name  HB1 ) (resid 881 and name  HD2 ) 4.21 4.21 0.00 
  peak 2413
assign (resid 910 and name  HD+ ) (resid 914 and name  HB2 ) 4.29 4.29 0.00 
  peak 377
assign (resid 882 and name  HG1 ) (resid 883 and name   HN ) 5.21 5.21 0.00 
  peak 378
assign (resid 860 and name   HA ) (resid 861 and name   HN ) 2.96 2.96 0.00 
  peak 351
assign (resid 882 and name  HG1 ) (resid 893 and name  HD2 ) 4.25 4.25 0.00 
  peak 380
assign (resid 894 and name   HN ) (resid 895 and name  HD2 ) 4.09 4.09 0.00 
  peak 361
assign (resid 892 and name  HB1 ) (resid 893 and name   HN ) 3.89 3.89 0.00 
  peak 381
assign (resid 894 and name   HN ) (resid 894 and name  HB2 ) 3.91 3.91 0.00 
  peak 363
assign (resid 892 and name   HN ) (resid 892 and name  HB1 ) 4.02 4.02 0.00 
  peak 382
assign (resid 894 and name   HN ) (resid 895 and name   HA ) 5.50 5.50 0.00 
  peak 365
assign (resid 914 and name   HN ) (resid 917 and name  HE+ ) 5.50 5.50 0.00 
  peak 383
assign (resid 919 and name   HN ) (resid 920 and name   HN ) 4.34 4.34 0.00 
  peak 366
assign (resid 909 and name  HZ2 ) (resid 912 and name  HG1 ) 5.40 5.40 0.00 
  peak 470
assign (resid 874 and name  HB2 ) (resid 875 and name   HN ) 4.92 4.92 0.00 
  peak 385
assign (resid   3 and name   HB ) (resid 894 and name  HE1 ) 3.99 3.99 0.00 
  peak 376
assign (resid 891 and name   HN ) (resid 891 and name  HB1 ) 3.82 3.82 0.00 
  peak 389
assign (resid   3 and name   HA ) (resid 894 and name  HE1 ) 4.59 4.59 0.00 
  peak 378
assign (resid   4 and name HM++ ) (resid 868 and name  HZ2 ) 4.43 4.43 0.00 
  peak 2314
assign (resid 905 and name  HB1 ) (resid 906 and name   HN ) 4.43 4.43 0.00 
  peak 478
assign (resid 857 and name   HN ) (resid 857 and name  HB2 ) 3.33 3.33 0.00 
  peak 390
assign (resid   3 and name   HB ) (resid 882 and name   HN ) 5.19 5.19 0.00 
  peak 379
assign (resid   4 and name HM++ ) (resid 868 and name  HH2 ) 4.13 4.13 0.00 
  peak 2315
assign (resid 876 and name  HB1 ) (resid 877 and name   HN ) 3.79 3.79 0.00 
  peak 479
assign (resid 885 and name  HB2 ) (resid 911 and name   HN ) 3.65 3.65 0.00 
  peak 393
assign (resid 858 and name   HA ) (resid 867 and name   HN ) 4.80 4.80 0.00 
  peak 382
assign (resid 871 and name  HG1 ) (resid 892 and name  HE+ ) 4.95 4.95 0.00 
  peak 2316
assign (resid 913 and name  HB1 ) (resid 914 and name   HN ) 3.80 3.80 0.00 
  peak 480
assign (resid 859 and name   HA ) (resid 867 and name   HN ) 5.39 5.39 0.00 
  peak 382
assign (resid   2 and name  HB2 ) (resid 884 and name   HN ) 4.64 4.64 0.00 
  peak 2320
assign (resid 913 and name   HN ) (resid 913 and name  HB1 ) 3.81 3.81 0.00 
  peak 481
assign (resid 882 and name   HN ) (resid 894 and name  HE1 ) 4.61 4.61 0.00 
  peak 2322
assign (resid 907 and name  HB2 ) (resid 908 and name   HN ) 3.97 3.97 0.00 
  peak 485
assign (resid 882 and name  HB2 ) (resid 891 and name  HE3 ) 3.53 3.53 0.00 
  peak 2324
assign (resid 912 and name  HG2 ) (resid 913 and name   HN ) 3.23 3.23 0.00 
  peak 487
assign (resid 911 and name   HA ) (resid 912 and name   HA ) 4.46 4.46 0.00 
  peak 2414
assign (resid 882 and name  HB2 ) (resid 892 and name   HN ) 5.33 5.33 0.00 
  peak 2325
assign (resid 870 and name  HB2 ) (resid 893 and name   HN ) 3.89 3.89 0.00 
  peak 489
assign (resid 917 and name  HG1 ) (resid 918 and name   HA ) 4.04 4.04 0.00 
  peak 2418
assign (resid 894 and name  HE3 ) (resid 899 and name HG2+ ) 3.67 3.67 0.00 
  peak 2326
assign (resid 870 and name  HB2 ) (resid 873 and name   HN ) 5.02 5.02 0.00 
  peak 490
assign (resid 918 and name   HA ) (resid 918 and name HG12 ) 3.89 3.89 0.00 
  peak 2418
assign (resid 894 and name  HE3 ) (resid 900 and name   HA ) 4.08 4.08 0.00 
  peak 2327
assign (resid   1 and name  HB+ ) (resid 908 and name   HA ) 3.72 3.72 0.00 
  peak 2430
assign (resid 894 and name  HE1 ) (resid 902 and name  HB+ ) 4.29 4.29 0.00 
  peak 2328
assign (resid   3 and name   HN ) (resid 891 and name  HH2 ) 4.85 4.85 0.00 
  peak 2432
assign (resid   4 and name  HB+ ) (resid   4 and name  HD+ ) 3.31 3.31 0.00 
  peak 26
assign (resid   4 and name  HB+ ) (resid 891 and name  HZ3 ) 5.35 5.35 0.00 
  peak 2015
assign (resid   4 and name  HG+ ) (resid 891 and name  HZ3 ) 3.88 3.88 0.00 
  peak 48
assign (resid   4 and name  HD+ ) (resid   4 and name HM++ ) 2.81 2.81 0.00 
  peak 1747
assign (resid 914 and name  HB1 ) (resid 915 and name   HN ) 3.77 3.77 0.00 
  peak 394
assign (resid 885 and name   HN ) (resid 885 and name  HB2 ) 3.68 3.68 0.00 
  peak 395
assign (resid 858 and name   HA ) (resid 869 and name   HN ) 4.47 4.47 0.00 
  peak 383
assign (resid 888 and name   HN ) (resid 888 and name  HB1 ) 3.97 3.97 0.00 
  peak 399
assign (resid 859 and name   HN ) (resid 867 and name   HA ) 4.96 4.96 0.00 
  peak 384
assign (resid 886 and name  HB2 ) (resid 887 and name   HN ) 4.66 4.66 0.00 
  peak 400
assign (resid 861 and name   HN ) (resid 867 and name HD1+ ) 4.32 4.32 0.00 
  peak 386
assign (resid 897 and name   HB ) (resid 899 and name   HN ) 4.65 4.65 0.00 
  peak 401
assign (resid 855 and name   HN ) (resid 855 and name  HB1 ) 4.12 4.12 0.00 
  peak 397
assign (resid 886 and name  HB2 ) (resid 910 and name   HZ ) 4.39 4.39 0.00 
  peak 403
assign (resid 855 and name   HN ) (resid 855 and name  HG+ ) 4.23 4.23 0.00 
  peak 398
assign (resid 870 and name  HB2 ) (resid 893 and name  HE1 ) 3.76 3.76 0.00 
  peak 491
assign (resid 886 and name  HB2 ) (resid 910 and name  HE+ ) 4.07 4.07 0.00 
  peak 404
assign (resid 856 and name   HN ) (resid 856 and name  HB+ ) 3.09 3.09 0.00 
  peak 401
assign (resid 882 and name  HG2 ) (resid 883 and name   HN ) 4.58 4.58 0.00 
  peak 492
assign (resid 886 and name   HN ) (resid 886 and name  HB2 ) 3.72 3.72 0.00 
  peak 405
assign (resid 857 and name   HN ) (resid 857 and name  HB1 ) 4.02 4.02 0.00 
  peak 405
assign (resid 882 and name  HG2 ) (resid 893 and name  HD2 ) 3.96 3.96 0.00 
  peak 493
assign (resid 861 and name  HB2 ) (resid 862 and name   HN ) 3.69 3.69 0.00 
  peak 409
assign (resid 857 and name   HN ) (resid 857 and name  HE+ ) 5.40 5.40 0.00 
  peak 407
assign (resid 900 and name   HN ) (resid 900 and name  HB1 ) 4.05 4.05 0.00 
  peak 494
assign (resid 865 and name  HB1 ) (resid 866 and name   HN ) 3.67 3.67 0.00 
  peak 413
assign (resid 858 and name   HN ) (resid 858 and name   HB ) 3.60 3.60 0.00 
  peak 410
assign (resid 900 and name  HB1 ) (resid 901 and name   HN ) 4.23 4.23 0.00 
  peak 495
assign (resid 859 and name   HN ) (resid 859 and name   HB ) 4.01 4.01 0.00 
  peak 415
assign (resid 908 and name   HN ) (resid 908 and name  HB2 ) 3.43 3.43 0.00 
  peak 496
assign (resid 908 and name  HB2 ) (resid 909 and name   HN ) 3.68 3.68 0.00 
  peak 497
assign (resid 886 and name  HB1 ) (resid 910 and name  HE+ ) 3.81 3.81 0.00 
  peak 498
assign (resid   4 and name HM++ ) (resid 877 and name  HB+ ) 3.27 3.27 0.00 
  peak 80
assign (resid 886 and name  HB1 ) (resid 910 and name  HD+ ) 4.36 4.36 0.00 
  peak 499
assign (resid   5 and name  HB+ ) (resid   5 and name HE2+ ) 3.70 3.70 0.00 
  peak 32
assign (resid 886 and name   HN ) (resid 886 and name  HB1 ) 3.53 3.53 0.00 
  peak 500
assign (resid   5 and name  HB+ ) (resid 881 and name   HA ) 4.45 4.45 0.00 
  peak 728
assign (resid   5 and name  HG+ ) (resid   5 and name HE2+ ) 3.37 3.37 0.00 
  peak 472
assign (resid   8 and name  HB+ ) (resid   8 and name  HD+ ) 3.34 3.34 0.00 
  peak 2127
assign (resid 855 and name   HN ) (resid 855 and name  HB+ ) 3.48 3.48 0.00 
  peak 397
assign (resid 865 and name  HB1 ) (resid 865 and name HD2+ ) 3.58 3.58 0.00 
  peak 412
assign (resid 855 and name  HB+ ) (resid 856 and name   HN ) 4.11 4.11 0.00 
  peak 1310
assign (resid 867 and name HG2+ ) (resid 877 and name  HB+ ) 3.92 3.92 0.00 
  peak 672
assign (resid 856 and name  HB+ ) (resid 858 and name HG++ ) 4.22 4.22 0.00 
  peak 1708
assign (resid 868 and name   HN ) (resid 877 and name  HB+ ) 4.98 4.98 0.00 
  peak 2099
assign (resid 857 and name   HN ) (resid 858 and name HG++ ) 4.83 4.83 0.00 
  peak 2018
assign (resid 869 and name   HN ) (resid 869 and name HG1+ ) 3.63 3.63 0.00 
  peak 623
assign (resid 857 and name  HD+ ) (resid 869 and name HG1+ ) 3.89 3.89 0.00 
  peak 1427
assign (resid 869 and name   HA ) (resid 876 and name  HB+ ) 4.12 4.12 0.00 
  peak 1922
assign (resid 869 and name HG2+ ) (resid 869 and name HG1+ ) 2.99 2.99 0.00 
  peak 1972
assign (resid 869 and name HG2+ ) (resid 874 and name  HB+ ) 4.28 4.28 0.00 
  peak 1880
assign (resid 869 and name HG2+ ) (resid 874 and name HD2+ ) 5.34 5.34 0.00 
  peak 1389
assign (resid 869 and name HG2+ ) (resid 875 and name  HB+ ) 4.84 4.84 0.00 
  peak 2335
assign (resid 869 and name HG1+ ) (resid 876 and name   HA ) 4.26 4.26 0.00 
  peak 1501
assign (resid 861 and name  HB2 ) (resid 863 and name   HN ) 4.61 4.61 0.00 
  peak 414
assign (resid 891 and name   HN ) (resid 891 and name  HB2 ) 3.40 3.40 0.00 
  peak 416
assign (resid 860 and name   HN ) (resid 860 and name  HG1 ) 3.98 3.98 0.00 
  peak 421
assign (resid 907 and name  HG+ ) (resid 908 and name   HN ) 3.61 3.61 0.00 
  peak 417
assign (resid 860 and name   HN ) (resid 860 and name  HB+ ) 3.37 3.37 0.00 
  peak 422
assign (resid 907 and name   HN ) (resid 907 and name  HG+ ) 4.09 4.09 0.00 
  peak 419
assign (resid 861 and name   HN ) (resid 861 and name  HB2 ) 4.07 4.07 0.00 
  peak 425
assign (resid 887 and name   HN ) (resid 887 and name  HB2 ) 3.86 3.86 0.00 
  peak 421
assign (resid 862 and name   HN ) (resid 862 and name  HB2 ) 3.60 3.60 0.00 
  peak 428
assign (resid 887 and name  HB2 ) (resid 888 and name   HN ) 3.60 3.60 0.00 
  peak 422
assign (resid 862 and name  HB1 ) (resid 863 and name   HN ) 4.27 4.27 0.00 
  peak 431
assign (resid   2 and name  HG+ ) (resid   3 and name   HN ) 4.22 4.22 0.00 
  peak 503
assign (resid 887 and name  HB2 ) (resid 910 and name  HE+ ) 3.71 3.71 0.00 
  peak 424
assign (resid 863 and name   HN ) (resid 863 and name  HB1 ) 3.71 3.71 0.00 
  peak 436
assign (resid   2 and name  HG+ ) (resid 891 and name  HZ2 ) 4.05 4.05 0.00 
  peak 506
assign (resid 887 and name  HB2 ) (resid 910 and name  HD+ ) 3.51 3.51 0.00 
  peak 425
assign (resid 862 and name  HG+ ) (resid 863 and name  HE1 ) 4.31 4.31 0.00 
  peak 438
assign (resid 904 and name  HB2 ) (resid 906 and name   HN ) 4.20 4.20 0.00 
  peak 508
assign (resid 877 and name  HB2 ) (resid 878 and name   HN ) 4.60 4.60 0.00 
  peak 427
assign (resid 866 and name   HN ) (resid 866 and name  HG2 ) 4.23 4.23 0.00 
  peak 454
assign (resid 869 and name   HN ) (resid 869 and name   HB ) 3.41 3.41 0.00 
  peak 509
assign (resid 890 and name  HB2 ) (resid 891 and name   HN ) 3.91 3.91 0.00 
  peak 428
assign (resid 873 and name   HN ) (resid 873 and name  HB1 ) 3.95 3.95 0.00 
  peak 487
assign (resid 869 and name   HB ) (resid 870 and name   HN ) 4.91 4.91 0.00 
  peak 510
assign (resid 877 and name   HN ) (resid 877 and name  HB2 ) 3.66 3.66 0.00 
  peak 508
assign (resid   2 and name  HB1 ) (resid 884 and name   HN ) 4.43 4.43 0.00 
  peak 512
assign (resid   2 and name  HB2 ) (resid 891 and name  HZ2 ) 4.78 4.78 0.00 
  peak 513
assign (resid 866 and name  HB1 ) (resid 868 and name  HH2 ) 4.15 4.15 0.00 
  peak 514
assign (resid 857 and name  HE+ ) (resid 869 and name HG1+ ) 5.34 5.34 0.00 
  peak 1441
assign (resid 857 and name  HD+ ) (resid 869 and name   HB ) 3.38 3.38 0.00 
  peak 515
assign (resid 857 and name  HE+ ) (resid 871 and name  HB+ ) 4.39 4.39 0.00 
  peak 535
assign (resid 866 and name  HB1 ) (resid 866 and name HE21 ) 4.07 4.07 0.00 
  peak 516
assign (resid 858 and name   HN ) (resid 858 and name HG++ ) 3.39 3.39 0.00 
  peak 664
assign (resid 858 and name   HA ) (resid 859 and name HG1+ ) 4.25 4.25 0.00 
  peak 1886
assign (resid 858 and name HG++ ) (resid 859 and name   HN ) 3.41 3.41 0.00 
  peak 666
assign (resid 858 and name HG++ ) (resid 859 and name HG2+ ) 4.27 4.27 0.00 
  peak 9
assign (resid 869 and name HD1+ ) (resid 876 and name  HB+ ) 3.34 3.34 0.00 
  peak 1962
assign (resid 858 and name HG++ ) (resid 860 and name   HN ) 5.25 5.25 0.00 
  peak 22
assign (resid 870 and name   HA ) (resid 871 and name  HB+ ) 4.86 4.86 0.00 
  peak 2406
assign (resid 858 and name HG++ ) (resid 866 and name   HA ) 4.18 4.18 0.00 
  peak 848
assign (resid 871 and name  HB+ ) (resid 872 and name   HN ) 4.00 4.00 0.00 
  peak 2380
assign (resid 858 and name HG++ ) (resid 866 and name  HB2 ) 3.63 3.63 0.00 
  peak 850
assign (resid 871 and name  HB+ ) (resid 892 and name  HE+ ) 5.34 5.34 0.00 
  peak 1439
assign (resid 858 and name HG++ ) (resid 866 and name  HB1 ) 3.72 3.72 0.00 
  peak 2243
assign (resid 871 and name  HD+ ) (resid 872 and name   HN ) 3.80 3.80 0.00 
  peak 553
assign (resid 871 and name  HD+ ) (resid 874 and name   HN ) 5.27 5.27 0.00 
  peak 1153
assign (resid 871 and name  HD+ ) (resid 892 and name   HA ) 4.46 4.46 0.00 
  peak 731
assign (resid 871 and name  HD+ ) (resid 892 and name  HE+ ) 4.67 4.67 0.00 
  peak 2349
assign (resid 873 and name  HB+ ) (resid 875 and name  HG+ ) 4.68 4.68 0.00 
  peak 756
assign (resid 873 and name  HB+ ) (resid 875 and name  HD+ ) 4.53 4.53 0.00 
  peak 757
assign (resid 910 and name  HB1 ) (resid 915 and name   HN ) 4.31 4.31 0.00 
  peak 434
assign (resid 910 and name  HB1 ) (resid 914 and name   HN ) 4.66 4.66 0.00 
  peak 435
assign (resid 880 and name   HN ) (resid 880 and name  HB2 ) 3.90 3.90 0.00 
  peak 516
assign (resid 911 and name   HN ) (resid 911 and name  HB1 ) 3.56 3.56 0.00 
  peak 436
assign (resid 890 and name   HN ) (resid 890 and name  HB2 ) 3.87 3.87 0.00 
  peak 540
assign (resid 900 and name   HN ) (resid 900 and name  HG2 ) 3.99 3.99 0.00 
  peak 440
assign (resid 896 and name   HN ) (resid 896 and name  HB2 ) 3.51 3.51 0.00 
  peak 565
assign (resid 895 and name  HB1 ) (resid 896 and name   HN ) 4.49 4.49 0.00 
  peak 442
assign (resid 902 and name   HN ) (resid 902 and name  HB+ ) 2.87 2.87 0.00 
  peak 584
assign (resid 908 and name   HN ) (resid 908 and name  HG2 ) 4.24 4.24 0.00 
  peak 443
assign (resid 905 and name   HN ) (resid 905 and name  HG2 ) 3.90 3.90 0.00 
  peak 587
assign (resid 857 and name  HE+ ) (resid 869 and name   HB ) 4.60 4.60 0.00 
  peak 516
assign (resid 875 and name   HN ) (resid 875 and name  HB2 ) 3.94 3.94 0.00 
  peak 445
assign (resid 907 and name   HN ) (resid 907 and name  HB2 ) 3.21 3.21 0.00 
  peak 594
assign (resid 882 and name  HB2 ) (resid 883 and name   HN ) 4.10 4.10 0.00 
  peak 517
assign (resid 912 and name  HB1 ) (resid 913 and name   HN ) 4.52 4.52 0.00 
  peak 448
assign (resid 907 and name   HN ) (resid 907 and name  HB1 ) 3.21 3.21 0.00 
  peak 595
assign (resid 866 and name   HN ) (resid 866 and name  HB1 ) 3.66 3.66 0.00 
  peak 518
assign (resid 882 and name  HB1 ) (resid 892 and name   HN ) 4.44 4.44 0.00 
  peak 450
assign (resid 908 and name   HN ) (resid 908 and name  HG1 ) 4.24 4.24 0.00 
  peak 601
assign (resid   4 and name   HN ) (resid 882 and name  HB2 ) 4.55 4.55 0.00 
  peak 519
assign (resid 882 and name  HB1 ) (resid 891 and name  HE3 ) 3.68 3.68 0.00 
  peak 451
assign (resid 908 and name  HB2 ) (resid 908 and name HE21 ) 4.57 4.57 0.00 
  peak 602
assign (resid 875 and name  HD+ ) (resid 893 and name  HE1 ) 5.32 5.32 0.00 
  peak 523
assign (resid 909 and name   HN ) (resid 909 and name  HB1 ) 3.97 3.97 0.00 
  peak 614
assign (resid 916 and name   HN ) (resid 917 and name  HB1 ) 5.50 5.50 0.00 
  peak 523
assign (resid   2 and name  HB1 ) (resid   2 and name   HE ) 4.53 4.53 0.00 
  peak 524
assign (resid   2 and name  HB1 ) (resid 891 and name  HZ3 ) 4.90 4.90 0.00 
  peak 525
assign (resid 858 and name HG++ ) (resid 866 and name  HG2 ) 3.79 3.79 0.00 
  peak 847
assign (resid 908 and name  HB1 ) (resid 910 and name   HZ ) 4.07 4.07 0.00 
  peak 530
assign (resid 858 and name HG++ ) (resid 866 and name  HG1 ) 3.81 3.81 0.00 
  peak 2351
assign (resid 908 and name  HB1 ) (resid 909 and name   HN ) 3.65 3.65 0.00 
  peak 531
assign (resid 858 and name HG++ ) (resid 866 and name HE21 ) 3.82 3.82 0.00 
  peak 1444
assign (resid 858 and name HG++ ) (resid 866 and name HE22 ) 4.04 4.04 0.00 
  peak 257
assign (resid 858 and name HG++ ) (resid 867 and name   HN ) 4.08 4.08 0.00 
  peak 667
assign (resid 858 and name HG++ ) (resid 868 and name   HA ) 3.89 3.89 0.00 
  peak 888
assign (resid 865 and name   HN ) (resid 866 and name   HN ) 4.63 4.63 0.00 
  peak 23
assign (resid 874 and name   HN ) (resid 874 and name  HB+ ) 3.63 3.63 0.00 
  peak 2172
assign (resid 858 and name HG++ ) (resid 868 and name  HD1 ) 4.14 4.14 0.00 
  peak 894
assign (resid 906 and name   HN ) (resid 907 and name   HN ) 3.27 3.27 0.00 
  peak 40
assign (resid 874 and name   HA ) (resid 874 and name HD2+ ) 4.43 4.43 0.00 
  peak 233
assign (resid 858 and name HG++ ) (resid 868 and name  HE1 ) 3.95 3.95 0.00 
  peak 1456
assign (resid 905 and name   HA ) (resid 907 and name   HN ) 4.27 4.27 0.00 
  peak 42
assign (resid 874 and name  HB+ ) (resid 874 and name HD2+ ) 3.08 3.08 0.00 
  peak 386
assign (resid 858 and name HG++ ) (resid 868 and name  HZ2 ) 3.98 3.98 0.00 
  peak 887
assign (resid 904 and name  HB1 ) (resid 907 and name   HN ) 4.63 4.63 0.00 
  peak 43
assign (resid 874 and name  HB+ ) (resid 875 and name   HN ) 4.27 4.27 0.00 
  peak 280
assign (resid 859 and name HG2+ ) (resid 859 and name HG1+ ) 3.02 3.02 0.00 
  peak 2131
assign (resid 904 and name  HB2 ) (resid 907 and name   HN ) 3.89 3.89 0.00 
  peak 45
assign (resid 875 and name   HN ) (resid 875 and name  HB+ ) 3.34 3.34 0.00 
  peak 445
assign (resid 920 and name  HB1 ) (resid 921 and name   HN ) 4.41 4.41 0.00 
  peak 46
assign (resid 875 and name   HN ) (resid 875 and name  HG+ ) 3.74 3.74 0.00 
  peak 507
assign (resid 920 and name  HB2 ) (resid 921 and name   HN ) 4.41 4.41 0.00 
  peak 48
assign (resid 875 and name   HA ) (resid 875 and name  HG+ ) 3.53 3.53 0.00 
  peak 1513
assign (resid 893 and name   HN ) (resid 897 and name HG1+ ) 4.45 4.45 0.00 
  peak 50
assign (resid 875 and name  HB+ ) (resid 875 and name  HD+ ) 3.35 3.35 0.00 
  peak 36
assign (resid 893 and name   HN ) (resid 894 and name   HN ) 4.81 4.81 0.00 
  peak 51
assign (resid 875 and name  HB+ ) (resid 875 and name  HE+ ) 4.20 4.20 0.00 
  peak 1191
assign (resid 870 and name  HB1 ) (resid 893 and name   HN ) 4.36 4.36 0.00 
  peak 54
assign (resid 875 and name  HB+ ) (resid 876 and name  HD2 ) 3.35 3.35 0.00 
  peak 1832
assign (resid 910 and name   HN ) (resid 910 and name  HB2 ) 3.63 3.63 0.00 
  peak 620
assign (resid 914 and name   HN ) (resid 914 and name  HB1 ) 3.59 3.59 0.00 
  peak 636
assign (resid 916 and name   HN ) (resid 916 and name  HB2 ) 3.58 3.58 0.00 
  peak 643
assign (resid 916 and name   HN ) (resid 916 and name  HB1 ) 3.58 3.58 0.00 
  peak 644
assign (resid 917 and name   HN ) (resid 917 and name  HB1 ) 3.12 3.12 0.00 
  peak 654
assign (resid 908 and name   HN ) (resid 908 and name  HB1 ) 3.91 3.91 0.00 
  peak 532
assign (resid 917 and name   HN ) (resid 917 and name  HG2 ) 3.54 3.54 0.00 
  peak 655
assign (resid 867 and name   HN ) (resid 867 and name   HB ) 3.46 3.46 0.00 
  peak 534
assign (resid 917 and name   HN ) (resid 917 and name  HG1 ) 3.86 3.86 0.00 
  peak 656
assign (resid 867 and name HG2+ ) (resid 869 and name   HN ) 4.50 4.50 0.00 
  peak 179
assign (resid 857 and name  HE+ ) (resid 871 and name  HB1 ) 5.20 5.20 0.00 
  peak 535
assign (resid 917 and name   HN ) (resid 917 and name  HE+ ) 4.49 4.49 0.00 
  peak 657
assign (resid 867 and name HG2+ ) (resid 869 and name   HA ) 4.29 4.29 0.00 
  peak 180
assign (resid 859 and name   HN ) (resid 867 and name   HB ) 3.84 3.84 0.00 
  peak 536
assign (resid 918 and name   HN ) (resid 918 and name   HB ) 2.93 2.93 0.00 
  peak 659
assign (resid 901 and name   HA ) (resid 902 and name  HB+ ) 4.23 4.23 0.00 
  peak 185
assign (resid   8 and name  HG+ ) (resid   9 and name   HN ) 5.16 5.16 0.00 
  peak 540
assign (resid 918 and name   HN ) (resid 918 and name HG11 ) 3.55 3.55 0.00 
  peak 660
assign (resid 902 and name  HB+ ) (resid 903 and name  HD1 ) 4.20 4.20 0.00 
  peak 186
assign (resid 860 and name  HB+ ) (resid 861 and name   HN ) 3.48 3.48 0.00 
  peak 544
assign (resid 918 and name   HN ) (resid 918 and name HG2+ ) 3.94 3.94 0.00 
  peak 188
assign (resid 910 and name  HD+ ) (resid 915 and name  HB+ ) 4.53 4.53 0.00 
  peak 617
assign (resid 860 and name  HB+ ) (resid 864 and name   HN ) 4.42 4.42 0.00 
  peak 545
assign (resid 869 and name   HN ) (resid 869 and name HG2+ ) 4.26 4.26 0.00 
  peak 189
assign (resid 883 and name   HB ) (resid 894 and name  HE1 ) 3.51 3.51 0.00 
  peak 618
assign (resid 866 and name   HN ) (resid 866 and name  HG1 ) 3.97 3.97 0.00 
  peak 547
assign (resid 869 and name HG2+ ) (resid 876 and name   HA ) 3.96 3.96 0.00 
  peak 193
assign (resid 859 and name HG1+ ) (resid 860 and name   HN ) 3.93 3.93 0.00 
  peak 1304
assign (resid 883 and name   HB ) (resid 884 and name   HN ) 4.37 4.37 0.00 
  peak 619
assign (resid 903 and name  HG1 ) (resid 909 and name  HD1 ) 4.78 4.78 0.00 
  peak 549
assign (resid 894 and name  HB2 ) (resid 899 and name HG2+ ) 4.47 4.47 0.00 
  peak 201
assign (resid 859 and name HG1+ ) (resid 867 and name   HN ) 4.61 4.61 0.00 
  peak 2359
assign (resid 867 and name   HN ) (resid 867 and name HG11 ) 4.12 4.12 0.00 
  peak 621
assign (resid 871 and name  HD2 ) (resid 872 and name   HN ) 4.35 4.35 0.00 
  peak 553
assign (resid 899 and name HG2+ ) (resid 902 and name   HA ) 4.27 4.27 0.00 
  peak 202
assign (resid 860 and name  HB+ ) (resid 864 and name  HA+ ) 3.68 3.68 0.00 
  peak 33
assign (resid   4 and name   HN ) (resid   4 and name  HG2 ) 4.44 4.44 0.00 
  peak 622
assign (resid 894 and name  HZ3 ) (resid 899 and name HG2+ ) 4.35 4.35 0.00 
  peak 204
assign (resid 860 and name  HG+ ) (resid 861 and name   HN ) 4.05 4.05 0.00 
  peak 260
assign (resid 869 and name   HN ) (resid 869 and name HG11 ) 4.37 4.37 0.00 
  peak 623
assign (resid 860 and name  HG+ ) (resid 864 and name   HN ) 5.06 5.06 0.00 
  peak 1312
assign (resid 859 and name   HN ) (resid 859 and name HG11 ) 3.69 3.69 0.00 
  peak 626
assign (resid 860 and name  HD+ ) (resid 864 and name  HA+ ) 3.76 3.76 0.00 
  peak 567
assign (resid   4 and name   HN ) (resid   4 and name  HG1 ) 4.44 4.44 0.00 
  peak 628
assign (resid 885 and name  HB1 ) (resid 890 and name   HN ) 3.78 3.78 0.00 
  peak 61
assign (resid 875 and name  HB+ ) (resid 876 and name  HD1 ) 3.82 3.82 0.00 
  peak 592
assign (resid 861 and name   HN ) (resid 861 and name  HB+ ) 3.37 3.37 0.00 
  peak 425
assign (resid 867 and name HG2+ ) (resid 868 and name   HN ) 3.64 3.64 0.00 
  peak 629
assign (resid 885 and name  HB2 ) (resid 890 and name   HN ) 4.17 4.17 0.00 
  peak 62
assign (resid 914 and name   SG ) (resid 940 ) 2.50 0.00 0.00 
  peak 62
assign (resid 911 and name   SG ) (resid 940 ) 2.50 0.00 0.00 
  peak 62
assign (resid 888 and name   SG ) (resid 940 ) 2.50 0.00 0.00 
  peak 62
assign (resid 885 and name   SG ) (resid 940 ) 2.50 0.00 0.00 
  peak 62
assign (resid 870 and name   SG ) (resid 960 ) 2.50 0.00 0.00 
  peak 62
assign (resid 873 and name   SG ) (resid 960 ) 2.50 0.00 0.00 
  peak 62
assign (resid 896 and name   SG ) (resid 960 ) 2.50 0.00 0.00 
  peak 62
assign (resid 893 and name  ND1 ) (resid 960 ) 1.95 0.00 0.00 
  peak 62
assign (resid 885 and name   SG ) (resid 888 and name   SG ) 4.00 0.00 0.00 
  peak 62
assign (resid 885 and name   SG ) (resid 911 and name   SG ) 4.00 0.00 0.00 
  peak 62
assign (resid 885 and name   SG ) (resid 914 and name   SG ) 4.00 0.00 0.00 
  peak 62
assign (resid 888 and name   SG ) (resid 911 and name   SG ) 4.00 0.00 0.00 
  peak 62
assign (resid 888 and name   SG ) (resid 914 and name   SG ) 4.00 0.00 0.00 
  peak 62
assign (resid 911 and name   SG ) (resid 914 and name   SG ) 4.00 0.00 0.00 
  peak 62
assign (resid 870 and name   SG ) (resid 873 and name   SG ) 4.00 0.00 0.00 
  peak 62
assign (resid 870 and name   SG ) (resid 893 and name  ND1 ) 3.80 0.00 0.00 
  peak 62
assign (resid 870 and name   SG ) (resid 896 and name   SG ) 4.00 0.00 0.00 
  peak 62
assign (resid 873 and name   SG ) (resid 893 and name  ND1 ) 3.80 0.00 0.00 
  peak 62
assign (resid 873 and name   SG ) (resid 896 and name   SG ) 4.00 0.00 0.00 
  peak 62
assign (resid 893 and name  ND1 ) (resid 896 and name   SG ) 3.80 0.00 0.00 
  peak 62
assign (resid   1 and name  HT+ ) (resid   2 and name   HN ) 5.72 5.72 0.00 
  peak 62
assign (resid   1 and name  HT+ ) (resid   2 and name   HA ) 5.17 5.17 0.00 
  peak 62
assign (resid   1 and name  HT+ ) (resid   2 and name  HB1 ) 4.93 4.93 0.00 
  peak 62
assign (resid   1 and name  HT+ ) (resid   2 and name  HD+ ) 5.71 5.71 0.00 
  peak 62
assign (resid   1 and name  HT+ ) (resid   2 and name  HG+ ) 4.56 4.56 0.00 
  peak 62
assign (resid   1 and name  HB+ ) (resid   2 and name   HN ) 5.00 5.00 0.00 
  peak 62
assign (resid   1 and name  HB+ ) (resid   2 and name   HA ) 4.94 4.94 0.00 
  peak 62
assign (resid   1 and name  HB+ ) (resid   3 and name   HA ) 5.78 5.78 0.00 
  peak 62
assign (resid   1 and name  HB+ ) (resid 883 and name   HA ) 5.48 5.48 0.00 
  peak 62
assign (resid   1 and name  HB+ ) (resid 883 and name   HB ) 4.60 4.60 0.00 
  peak 62
assign (resid   1 and name  HB+ ) (resid 883 and name HG11 ) 4.73 4.73 0.00 
  peak 62
assign (resid   1 and name  HB+ ) (resid 885 and name   HA ) 5.50 5.50 0.00 
  peak 62
assign (resid   1 and name  HB+ ) (resid 902 and name   HA ) 5.25 5.25 0.00 
  peak 62
assign (resid   1 and name  HB+ ) (resid 903 and name   HA ) 5.32 5.32 0.00 
  peak 62
assign (resid   1 and name  HB+ ) (resid 903 and name  HB1 ) 4.65 4.65 0.00 
  peak 62
assign (resid   1 and name  HB+ ) (resid 903 and name  HD2 ) 4.31 4.31 0.00 
  peak 62
assign (resid   1 and name  HB+ ) (resid 903 and name  HD1 ) 4.04 4.04 0.00 
  peak 62
assign (resid   1 and name  HB+ ) (resid 904 and name  HD2 ) 5.57 5.57 0.00 
  peak 62
assign (resid   1 and name  HB+ ) (resid 904 and name  HD1 ) 5.63 5.63 0.00 
  peak 62
assign (resid   1 and name  HB+ ) (resid 905 and name   HA ) 5.43 5.43 0.00 
  peak 62
assign (resid   1 and name  HB+ ) (resid 907 and name  HB2 ) 5.05 5.05 0.00 
  peak 62
assign (resid   1 and name  HB+ ) (resid 907 and name  HB1 ) 4.71 4.71 0.00 
  peak 62
assign (resid   1 and name  HB+ ) (resid 907 and name  HG+ ) 4.98 4.98 0.00 
  peak 62
assign (resid   1 and name  HB+ ) (resid 909 and name  HD1 ) 5.03 5.03 0.00 
  peak 62
assign (resid   1 and name  HB+ ) (resid 910 and name   HN ) 5.67 5.67 0.00 
  peak 62
assign (resid   2 and name   HN ) (resid   2 and name  HB2 ) 4.57 4.57 0.00 
  peak 62
assign (resid   2 and name   HN ) (resid   2 and name  HB1 ) 4.51 4.51 0.00 
  peak 62
assign (resid   2 and name   HN ) (resid   2 and name  HG+ ) 4.30 4.30 0.00 
  peak 62
assign (resid   2 and name   HA ) (resid   2 and name  HB2 ) 4.58 4.58 0.00 
  peak 62
assign (resid   2 and name  HB2 ) (resid   2 and name   HE ) 5.27 5.27 0.00 
  peak 62
assign (resid   2 and name  HB2 ) (resid   2 and name  HD+ ) 4.46 4.46 0.00 
  peak 62
assign (resid   2 and name   HA ) (resid   2 and name  HB1 ) 4.57 4.57 0.00 
  peak 62
assign (resid   2 and name   HA ) (resid   2 and name  HD2 ) 5.37 5.37 0.00 
  peak 62
assign (resid   2 and name  HB2 ) (resid   2 and name  HD2 ) 4.46 4.46 0.00 
  peak 62
assign (resid   2 and name  HB1 ) (resid   2 and name  HD2 ) 4.43 4.43 0.00 
  peak 62
assign (resid   2 and name  HG+ ) (resid   2 and name  HD2 ) 4.19 4.19 0.00 
  peak 62
assign (resid   2 and name   HA ) (resid   2 and name  HD1 ) 5.45 5.45 0.00 
  peak 62
assign (resid   2 and name  HB2 ) (resid   2 and name  HD1 ) 4.68 4.68 0.00 
  peak 62
assign (resid   2 and name  HB1 ) (resid   2 and name  HD1 ) 4.70 4.70 0.00 
  peak 62
assign (resid   2 and name  HG+ ) (resid   2 and name  HD1 ) 4.40 4.40 0.00 
  peak 62
assign (resid   2 and name   HA ) (resid   2 and name   HE ) 5.45 5.45 0.00 
  peak 62
assign (resid   2 and name  HD2 ) (resid   2 and name   HE ) 4.56 4.56 0.00 
  peak 62
assign (resid   2 and name  HD1 ) (resid   2 and name   HE ) 4.58 4.58 0.00 
  peak 62
assign (resid   2 and name  HG+ ) (resid   2 and name   HE ) 4.58 4.58 0.00 
  peak 62
assign (resid   2 and name  HG+ ) (resid   2 and name  HD+ ) 4.03 4.03 0.00 
  peak 62
assign (resid   2 and name  HD2 ) (resid 891 and name  HZ2 ) 5.67 5.67 0.00 
  peak 62
assign (resid   2 and name  HD1 ) (resid 891 and name  HZ2 ) 5.81 5.81 0.00 
  peak 62
assign (resid   2 and name  HD+ ) (resid   3 and name   HN ) 5.70 5.70 0.00 
  peak 62
assign (resid   3 and name   HN ) (resid   3 and name   HA ) 4.27 4.27 0.00 
  peak 62
assign (resid   3 and name   HA ) (resid   3 and name   HB ) 4.52 4.52 0.00 
  peak 62
assign (resid   3 and name   HN ) (resid   3 and name HG2+ ) 3.85 3.85 0.00 
  peak 62
assign (resid   3 and name HG2+ ) (resid   3 and name   HB ) 3.48 3.48 0.00 
  peak 62
assign (resid   3 and name HG2+ ) (resid   4 and name   HN ) 3.85 3.85 0.00 
  peak 62
assign (resid   3 and name   HA ) (resid 883 and name HG12 ) 5.52 5.52 0.00 
  peak 62
assign (resid   3 and name HG2+ ) (resid 883 and name HG11 ) 4.40 4.40 0.00 
  peak 62
assign (resid   3 and name   HN ) (resid 891 and name  HZ3 ) 5.24 5.24 0.00 
  peak 62
assign (resid   3 and name   HA ) (resid 891 and name  HE3 ) 6.28 6.28 0.00 
  peak 62
assign (resid   3 and name   HA ) (resid 894 and name  HZ2 ) 6.14 6.14 0.00 
  peak 62
assign (resid   3 and name HG2+ ) (resid 894 and name  HH2 ) 4.72 4.72 0.00 
  peak 62
assign (resid   4 and name   HN ) (resid   4 and name   HA ) 3.96 3.96 0.00 
  peak 62
assign (resid   4 and name   HN ) (resid   4 and name  HB2 ) 4.97 4.97 0.00 
  peak 62
assign (resid   4 and name   HN ) (resid   4 and name  HB1 ) 4.60 4.60 0.00 
  peak 62
assign (resid   4 and name   HN ) (resid   4 and name  HD2 ) 6.24 6.24 0.00 
  peak 62
assign (resid   4 and name   HN ) (resid   4 and name  HD1 ) 5.62 5.62 0.00 
  peak 62
assign (resid   4 and name   HN ) (resid   4 and name  HE1 ) 4.68 4.68 0.00 
  peak 62
assign (resid   4 and name   HA ) (resid   4 and name  HB2 ) 4.31 4.31 0.00 
  peak 62
assign (resid   4 and name  HB2 ) (resid   4 and name  HB1 ) 3.65 3.65 0.00 
  peak 62
assign (resid   4 and name  HB2 ) (resid   4 and name  HD2 ) 5.03 5.03 0.00 
  peak 62
assign (resid   4 and name  HB2 ) (resid   4 and name  HD1 ) 4.89 4.89 0.00 
  peak 62
assign (resid   4 and name  HB2 ) (resid   4 and name  HE1 ) 4.81 4.81 0.00 
  peak 62
assign (resid   4 and name  HB2 ) (resid   4 and name  HG2 ) 4.66 4.66 0.00 
  peak 62
assign (resid   4 and name  HB2 ) (resid   4 and name HM++ ) 4.81 4.81 0.00 
  peak 62
assign (resid   4 and name   HA ) (resid   4 and name  HB1 ) 4.30 4.30 0.00 
  peak 62
assign (resid   4 and name  HB1 ) (resid   4 and name  HD2 ) 4.97 4.97 0.00 
  peak 62
assign (resid   4 and name  HB1 ) (resid   4 and name  HD1 ) 4.65 4.65 0.00 
  peak 62
assign (resid   4 and name  HB1 ) (resid   4 and name  HG2 ) 4.39 4.39 0.00 
  peak 62
assign (resid   4 and name  HB1 ) (resid   4 and name  HG1 ) 4.54 4.54 0.00 
  peak 62
assign (resid   4 and name  HD2 ) (resid   4 and name  HD1 ) 3.90 3.90 0.00 
  peak 62
assign (resid   4 and name  HD2 ) (resid   4 and name  HE1 ) 4.89 4.89 0.00 
  peak 62
assign (resid   4 and name   HA ) (resid   4 and name  HD1 ) 5.98 5.98 0.00 
  peak 62
assign (resid   4 and name  HD1 ) (resid   4 and name  HE1 ) 4.46 4.46 0.00 
  peak 62
assign (resid   4 and name  HG2 ) (resid   4 and name  HD1 ) 4.54 4.54 0.00 
  peak 62
assign (resid   4 and name  HD2 ) (resid   4 and name  HE2 ) 5.03 5.03 0.00 
  peak 62
assign (resid   4 and name  HD1 ) (resid   4 and name  HE2 ) 4.82 4.82 0.00 
  peak 62
assign (resid   4 and name  HE2 ) (resid   4 and name  HE1 ) 3.92 3.92 0.00 
  peak 62
assign (resid   4 and name   HA ) (resid   4 and name  HG2 ) 5.32 5.32 0.00 
  peak 62
assign (resid   4 and name  HG2 ) (resid   4 and name  HD2 ) 4.88 4.88 0.00 
  peak 62
assign (resid   4 and name  HG2 ) (resid   4 and name  HE2 ) 4.67 4.67 0.00 
  peak 62
assign (resid   4 and name   HA ) (resid   4 and name  HG1 ) 5.44 5.44 0.00 
  peak 62
assign (resid   4 and name  HB2 ) (resid   4 and name  HG1 ) 4.79 4.79 0.00 
  peak 62
assign (resid   4 and name  HG1 ) (resid   4 and name  HD2 ) 4.70 4.70 0.00 
  peak 62
assign (resid   4 and name  HG1 ) (resid   4 and name  HD1 ) 4.45 4.45 0.00 
  peak 62
assign (resid   4 and name  HG1 ) (resid   4 and name  HE2 ) 4.98 4.98 0.00 
  peak 62
assign (resid   4 and name  HG1 ) (resid   4 and name  HE1 ) 4.11 4.11 0.00 
  peak 62
assign (resid   4 and name  HG1 ) (resid   4 and name  HG2 ) 3.96 3.96 0.00 
  peak 62
assign (resid   4 and name  HD2 ) (resid   4 and name HM++ ) 3.41 3.41 0.00 
  peak 62
assign (resid   4 and name  HD1 ) (resid   4 and name HM++ ) 3.30 3.30 0.00 
  peak 62
assign (resid   4 and name  HE2 ) (resid   4 and name HM++ ) 3.39 3.39 0.00 
  peak 62
assign (resid   4 and name  HG1 ) (resid   4 and name HM++ ) 3.74 3.74 0.00 
  peak 62
assign (resid   4 and name HM++ ) (resid 868 and name  HB1 ) 4.04 4.04 0.00 
  peak 62
assign (resid   4 and name HM++ ) (resid 868 and name  HD1 ) 4.65 4.65 0.00 
  peak 62
assign (resid   4 and name   HN ) (resid 881 and name   HA ) 5.24 5.24 0.00 
  peak 62
assign (resid   4 and name   HN ) (resid 891 and name  HE3 ) 5.85 5.85 0.00 
  peak 62
assign (resid   4 and name  HB2 ) (resid 891 and name  HZ3 ) 5.89 5.89 0.00 
  peak 62
assign (resid   4 and name  HB1 ) (resid 891 and name  HZ3 ) 6.00 6.00 0.00 
  peak 62
assign (resid   4 and name  HD1 ) (resid 891 and name  HE3 ) 6.09 6.09 0.00 
  peak 62
assign (resid   4 and name  HG2 ) (resid 891 and name  HE3 ) 6.00 6.00 0.00 
  peak 62
assign (resid   4 and name  HG1 ) (resid 891 and name  HE3 ) 6.14 6.14 0.00 
  peak 62
assign (resid   4 and name  HG1 ) (resid 891 and name  HH2 ) 6.21 6.21 0.00 
  peak 62
assign (resid   4 and name HM++ ) (resid 891 and name  HE3 ) 4.54 4.54 0.00 
  peak 62
assign (resid   4 and name   HN ) (resid 894 and name  HE1 ) 5.12 5.12 0.00 
  peak 62
assign (resid   4 and name   HN ) (resid 894 and name  HZ2 ) 5.40 5.40 0.00 
  peak 62
assign (resid   4 and name   HA ) (resid   5 and name   HN ) 3.80 3.80 0.00 
  peak 62
assign (resid   4 and name  HB2 ) (resid   5 and name   HN ) 4.85 4.85 0.00 
  peak 62
assign (resid   4 and name  HB1 ) (resid   5 and name   HN ) 4.74 4.74 0.00 
  peak 62
assign (resid   4 and name  HD2 ) (resid   5 and name   HN ) 6.32 6.32 0.00 
  peak 62
assign (resid   4 and name  HD1 ) (resid   5 and name   HN ) 6.06 6.06 0.00 
  peak 62
assign (resid   4 and name  HE1 ) (resid   5 and name   HN ) 5.60 5.60 0.00 
  peak 62
assign (resid   4 and name  HG2 ) (resid   5 and name   HN ) 5.83 5.83 0.00 
  peak 62
assign (resid   4 and name  HG1 ) (resid   5 and name   HN ) 5.95 5.95 0.00 
  peak 62
assign (resid   4 and name HM++ ) (resid   5 and name   HN ) 5.77 5.77 0.00 
  peak 62
assign (resid   4 and name   HA ) (resid   5 and name  HB2 ) 5.88 5.88 0.00 
  peak 62
assign (resid   5 and name   HN ) (resid   5 and name   HA ) 4.60 4.60 0.00 
  peak 62
assign (resid   5 and name   HN ) (resid   5 and name  HB2 ) 5.22 5.22 0.00 
  peak 62
assign (resid   5 and name   HN ) (resid   5 and name  HB1 ) 5.08 5.08 0.00 
  peak 62
assign (resid   5 and name   HN ) (resid   5 and name  HG2 ) 5.15 5.15 0.00 
  peak 62
assign (resid   5 and name   HA ) (resid   5 and name  HB2 ) 4.16 4.16 0.00 
  peak 62
assign (resid   5 and name  HB2 ) (resid   5 and name  HB1 ) 3.42 3.42 0.00 
  peak 62
assign (resid   5 and name  HB2 ) (resid   5 and name HE21 ) 6.10 6.10 0.00 
  peak 62
assign (resid   5 and name   HA ) (resid   5 and name  HB1 ) 4.14 4.14 0.00 
  peak 62
assign (resid   5 and name   HA ) (resid   5 and name HE22 ) 5.76 5.76 0.00 
  peak 62
assign (resid   5 and name  HB2 ) (resid   5 and name HE22 ) 4.88 4.88 0.00 
  peak 62
assign (resid   5 and name  HB1 ) (resid   5 and name HE22 ) 4.73 4.73 0.00 
  peak 62
assign (resid   5 and name HE22 ) (resid   5 and name HE21 ) 2.95 2.95 0.00 
  peak 62
assign (resid   5 and name  HG2 ) (resid   5 and name HE22 ) 4.38 4.38 0.00 
  peak 62
assign (resid   5 and name  HG1 ) (resid   5 and name HE22 ) 4.42 4.42 0.00 
  peak 62
assign (resid   5 and name   HA ) (resid   5 and name  HG2 ) 4.52 4.52 0.00 
  peak 62
assign (resid   5 and name  HB2 ) (resid   5 and name  HG2 ) 3.78 3.78 0.00 
  peak 62
assign (resid   5 and name  HB1 ) (resid   5 and name  HG2 ) 4.14 4.14 0.00 
  peak 62
assign (resid   5 and name  HG2 ) (resid   5 and name HE21 ) 5.32 5.32 0.00 
  peak 62
assign (resid   5 and name   HN ) (resid   5 and name  HG1 ) 5.28 5.28 0.00 
  peak 62
assign (resid   5 and name   HA ) (resid   5 and name  HG1 ) 4.34 4.34 0.00 
  peak 62
assign (resid   5 and name  HB2 ) (resid   5 and name  HG1 ) 3.62 3.62 0.00 
  peak 62
assign (resid   5 and name  HB1 ) (resid   5 and name  HG1 ) 3.88 3.88 0.00 
  peak 62
assign (resid   5 and name  HG1 ) (resid   5 and name HE21 ) 5.47 5.47 0.00 
  peak 62
assign (resid   5 and name   HN ) (resid   6 and name   HN ) 5.82 5.82 0.00 
  peak 62
assign (resid   5 and name  HB2 ) (resid   6 and name   HN ) 5.21 5.21 0.00 
  peak 62
assign (resid   5 and name  HB1 ) (resid   6 and name   HN ) 5.08 5.08 0.00 
  peak 62
assign (resid   5 and name  HG2 ) (resid   6 and name   HN ) 5.84 5.84 0.00 
  peak 62
assign (resid   5 and name  HG1 ) (resid   6 and name   HN ) 5.50 5.50 0.00 
  peak 62
assign (resid   5 and name  HB2 ) (resid   7 and name   HN ) 6.05 6.05 0.00 
  peak 62
assign (resid   5 and name HE22 ) (resid   7 and name  HB+ ) 5.15 5.15 0.00 
  peak 62
assign (resid   5 and name  HG2 ) (resid   7 and name   HN ) 5.72 5.72 0.00 
  peak 62
assign (resid   5 and name  HG1 ) (resid   7 and name   HN ) 5.76 5.76 0.00 
  peak 62
assign (resid   5 and name HE22 ) (resid 880 and name   HA ) 5.70 5.70 0.00 
  peak 62
assign (resid   5 and name  HB2 ) (resid 881 and name   HA ) 5.03 5.03 0.00 
  peak 62
assign (resid   5 and name  HB2 ) (resid 881 and name  HB2 ) 5.71 5.71 0.00 
  peak 62
assign (resid   5 and name  HB2 ) (resid 881 and name  HG2 ) 5.09 5.09 0.00 
  peak 62
assign (resid   5 and name  HB2 ) (resid 881 and name  HG1 ) 5.41 5.41 0.00 
  peak 62
assign (resid   5 and name  HB1 ) (resid 881 and name   HA ) 5.06 5.06 0.00 
  peak 62
assign (resid   5 and name HE22 ) (resid 881 and name  HD2 ) 5.81 5.81 0.00 
  peak 62
assign (resid   5 and name  HG2 ) (resid 881 and name  HG2 ) 5.62 5.62 0.00 
  peak 62
assign (resid   5 and name  HG2 ) (resid 881 and name  HG1 ) 5.26 5.26 0.00 
  peak 62
assign (resid   5 and name  HG1 ) (resid 881 and name   HA ) 5.40 5.40 0.00 
  peak 62
assign (resid   5 and name  HG1 ) (resid 881 and name  HB1 ) 6.20 6.20 0.00 
  peak 62
assign (resid   5 and name  HG1 ) (resid 881 and name  HD2 ) 5.80 5.80 0.00 
  peak 62
assign (resid   5 and name  HG1 ) (resid 881 and name  HG2 ) 5.32 5.32 0.00 
  peak 62
assign (resid   5 and name  HG1 ) (resid 881 and name  HG1 ) 5.03 5.03 0.00 
  peak 62
assign (resid   5 and name  HB2 ) (resid 882 and name   HN ) 5.96 5.96 0.00 
  peak 62
assign (resid   5 and name  HB1 ) (resid 882 and name   HN ) 5.89 5.89 0.00 
  peak 62
assign (resid   5 and name  HG2 ) (resid 882 and name   HN ) 6.06 6.06 0.00 
  peak 62
assign (resid   5 and name  HG1 ) (resid 882 and name   HN ) 5.87 5.87 0.00 
  peak 62
assign (resid   5 and name   HA ) (resid   6 and name   HN ) 4.07 4.07 0.00 
  peak 62
assign (resid   6 and name   HN ) (resid   6 and name   HA ) 4.07 4.07 0.00 
  peak 62
assign (resid   6 and name   HN ) (resid   6 and name   HB ) 4.81 4.81 0.00 
  peak 62
assign (resid   6 and name   HA ) (resid   6 and name   HB ) 3.92 3.92 0.00 
  peak 62
assign (resid   6 and name   HN ) (resid   6 and name HG2+ ) 4.23 4.23 0.00 
  peak 62
assign (resid   6 and name HG2+ ) (resid   6 and name   HB ) 3.15 3.15 0.00 
  peak 62
assign (resid   6 and name   HN ) (resid   7 and name  HB+ ) 6.11 6.11 0.00 
  peak 62
assign (resid   6 and name   HB ) (resid   7 and name  HB+ ) 5.85 5.85 0.00 
  peak 62
assign (resid   6 and name   HB ) (resid 879 and name  HA1 ) 6.12 6.12 0.00 
  peak 62
assign (resid   6 and name HG2+ ) (resid 879 and name  HA2 ) 4.94 4.94 0.00 
  peak 62
assign (resid   6 and name HG2+ ) (resid 879 and name  HA1 ) 5.04 5.04 0.00 
  peak 62
assign (resid   6 and name   HN ) (resid   7 and name   HN ) 5.20 5.20 0.00 
  peak 62
assign (resid   6 and name   HA ) (resid   7 and name   HN ) 3.62 3.62 0.00 
  peak 62
assign (resid   6 and name   HB ) (resid   7 and name   HN ) 4.68 4.68 0.00 
  peak 62
assign (resid   6 and name   HA ) (resid   7 and name  HB+ ) 4.45 4.45 0.00 
  peak 62
assign (resid   7 and name   HN ) (resid   7 and name   HA ) 4.04 4.04 0.00 
  peak 62
assign (resid   7 and name  HB+ ) (resid   7 and name   HA ) 3.03 3.03 0.00 
  peak 62
assign (resid   7 and name  HB+ ) (resid   8 and name   HN ) 4.07 4.07 0.00 
  peak 62
assign (resid   7 and name   HN ) (resid 879 and name  HA1 ) 5.81 5.81 0.00 
  peak 62
assign (resid   6 and name HG2+ ) (resid   8 and name   HN ) 5.51 5.51 0.00 
  peak 62
assign (resid   8 and name   HN ) (resid   8 and name   HA ) 3.30 3.30 0.00 
  peak 62
assign (resid   8 and name   HN ) (resid   8 and name  HB2 ) 4.08 4.08 0.00 
  peak 62
assign (resid   8 and name   HN ) (resid   8 and name  HB1 ) 4.35 4.35 0.00 
  peak 62
assign (resid   8 and name   HN ) (resid   8 and name  HG2 ) 4.76 4.76 0.00 
  peak 62
assign (resid   8 and name   HN ) (resid   8 and name  HG1 ) 4.70 4.70 0.00 
  peak 62
assign (resid   8 and name   HN ) (resid   8 and name  HD+ ) 5.57 5.57 0.00 
  peak 62
assign (resid   8 and name   HA ) (resid   8 and name  HB2 ) 4.06 4.06 0.00 
  peak 62
assign (resid   8 and name   HA ) (resid   8 and name  HB1 ) 4.05 4.05 0.00 
  peak 62
assign (resid   8 and name  HD+ ) (resid   8 and name   HE ) 5.19 5.19 0.00 
  peak 62
assign (resid   8 and name   HA ) (resid   8 and name  HG2 ) 4.50 4.50 0.00 
  peak 62
assign (resid   8 and name  HB2 ) (resid   8 and name  HG2 ) 3.93 3.93 0.00 
  peak 62
assign (resid   8 and name  HB1 ) (resid   8 and name  HG2 ) 3.62 3.62 0.00 
  peak 62
assign (resid   8 and name   HA ) (resid   8 and name  HG1 ) 4.58 4.58 0.00 
  peak 62
assign (resid   8 and name  HB2 ) (resid   8 and name  HG1 ) 3.79 3.79 0.00 
  peak 62
assign (resid   8 and name  HB1 ) (resid   8 and name  HG1 ) 3.88 3.88 0.00 
  peak 62
assign (resid   8 and name   HA ) (resid   8 and name  HD+ ) 4.50 4.50 0.00 
  peak 62
assign (resid   8 and name  HG2 ) (resid   8 and name  HD+ ) 3.87 3.87 0.00 
  peak 62
assign (resid   8 and name  HG1 ) (resid   8 and name  HD+ ) 3.68 3.68 0.00 
  peak 62
assign (resid   7 and name  HB+ ) (resid   9 and name   HN ) 4.28 4.28 0.00 
  peak 62
assign (resid   8 and name   HA ) (resid   9 and name   HN ) 3.80 3.80 0.00 
  peak 62
assign (resid   8 and name  HG2 ) (resid   9 and name   HN ) 5.69 5.69 0.00 
  peak 62
assign (resid   8 and name  HG1 ) (resid   9 and name   HN ) 5.57 5.57 0.00 
  peak 62
assign (resid   9 and name   HN ) (resid   9 and name   HA ) 4.88 4.88 0.00 
  peak 62
assign (resid   9 and name   HN ) (resid   9 and name  HB2 ) 4.22 4.22 0.00 
  peak 62
assign (resid   9 and name   HN ) (resid   9 and name  HB1 ) 4.38 4.38 0.00 
  peak 62
assign (resid   9 and name   HA ) (resid   9 and name  HE+ ) 6.01 6.01 0.00 
  peak 62
assign (resid   9 and name   HA ) (resid   9 and name  HB2 ) 4.31 4.31 0.00 
  peak 62
assign (resid   9 and name   HA ) (resid   9 and name  HB1 ) 4.21 4.21 0.00 
  peak 62
assign (resid   9 and name  HB2 ) (resid   9 and name  HG2 ) 4.08 4.08 0.00 
  peak 62
assign (resid   9 and name  HB1 ) (resid   9 and name  HG2 ) 4.12 4.12 0.00 
  peak 62
assign (resid   9 and name  HG2 ) (resid   9 and name  HD+ ) 3.43 3.43 0.00 
  peak 62
assign (resid   9 and name  HG2 ) (resid   9 and name  HE+ ) 5.36 5.36 0.00 
  peak 62
assign (resid   9 and name   HA ) (resid   9 and name  HG1 ) 4.63 4.63 0.00 
  peak 62
assign (resid   9 and name  HB2 ) (resid   9 and name  HG1 ) 4.13 4.13 0.00 
  peak 62
assign (resid   9 and name  HB1 ) (resid   9 and name  HG1 ) 4.51 4.51 0.00 
  peak 62
assign (resid   9 and name  HG1 ) (resid   9 and name  HD+ ) 3.94 3.94 0.00 
  peak 62
assign (resid   9 and name   HA ) (resid   9 and name  HD+ ) 5.27 5.27 0.00 
  peak 62
assign (resid   9 and name  HG1 ) (resid   9 and name  HE+ ) 5.07 5.07 0.00 
  peak 62
assign (resid   9 and name  HD+ ) (resid   9 and name  HE+ ) 3.08 3.08 0.00 
  peak 62
assign (resid  10 and name   HN ) (resid  10 and name   HA ) 5.95 5.95 0.00 
  peak 62
assign (resid  10 and name   HA ) (resid  10 and name  HB2 ) 4.59 4.59 0.00 
  peak 62
assign (resid  10 and name   HA ) (resid  10 and name  HB1 ) 4.57 4.57 0.00 
  peak 62
assign (resid  10 and name  HB2 ) (resid  10 and name  HB1 ) 2.90 2.90 0.00 
  peak 62
assign (resid  10 and name   HA ) (resid  11 and name   HN ) 5.60 5.60 0.00 
  peak 62
assign (resid  11 and name   HN ) (resid  11 and name   HA ) 5.53 5.53 0.00 
  peak 62
assign (resid  11 and name   HN ) (resid  11 and name   HB ) 6.11 6.11 0.00 
  peak 62
assign (resid  11 and name   HA ) (resid  11 and name   HB ) 5.17 5.17 0.00 
  peak 62
assign (resid  11 and name   HA ) (resid  11 and name HG2+ ) 4.55 4.55 0.00 
  peak 62
assign (resid  11 and name HG2+ ) (resid  11 and name   HB ) 3.61 3.61 0.00 
  peak 62
assign (resid  11 and name   HA ) (resid  12 and name   HN ) 5.67 5.67 0.00 
  peak 62
assign (resid  12 and name   HN ) (resid  12 and name  HA2 ) 4.95 4.95 0.00 
  peak 62
assign (resid  12 and name   HN ) (resid  12 and name  HA1 ) 4.88 4.88 0.00 
  peak 62
assign (resid  12 and name  HA1 ) (resid  12 and name  HA2 ) 2.72 2.72 0.00 
  peak 62
assign (resid  13 and name   HN ) (resid  13 and name  HA+ ) 8.39 8.39 0.00 
  peak 62

Contact the webmaster for help, if required. Saturday, June 1, 2024 6:31:12 AM GMT (wattos1)